Mrv1652307031918112D 77 81 0 0 0 0 999 V2000 9995.3392 9998.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.0533 9998.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9996.7366 9999.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.450610000.3161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9998.1646 9999.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.878610000.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.5926 9999.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10000.306010000.3161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10000.306010001.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.0213 9999.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.734510000.3161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10002.4518 9999.9047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10003.165010000.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.165010001.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10004.560510001.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.273710001.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10005.988910001.2334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10006.702110001.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.9889 9999.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.7104 9999.2805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10006.7104 9998.4560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10007.4236 9998.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.1368 9998.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.8499 9998.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10009.5652 9998.4560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10010.2784 9998.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10010.2784 9997.2203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10010.9895 9998.4560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10005.9972 9998.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.2819 9998.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10005.9972 9997.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10005.2737 9999.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10003.845210001.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10002.4518 9999.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.1650 9998.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10001.0213 9999.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9998.878610001.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9996.7366 9999.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9994.479910001.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9993.9726 9999.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9993.2586 9999.9292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9992.5446 9999.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9991.8306 9999.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9991.1165 9999.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9990.4023 9999.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9989.6883 9999.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9989.6883 9998.6914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9988.9704 9999.9313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9993.258610000.7531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9994.6866 9999.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9993.9554 9998.6804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9993.2880 9998.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9993.5429 9997.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.3679 9997.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.6228 9998.1954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9995.3577 9999.8215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9996.025110000.3065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9995.770210001.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.945210001.0911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9994.690310000.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.845810001.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.131310001.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.416810001.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.416710000.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.1312 9999.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.845810000.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.451110002.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.736610002.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.022110002.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.022010001.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10001.736510001.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.451110001.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.542710000.3988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10003.8753 9999.9138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10004.1302 9999.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.9552 9999.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.2101 9999.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 4 1 0 0 0 0 3 38 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 37 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 6 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 33 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 19 20 1 0 0 0 0 19 32 2 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 34 35 1 0 0 0 0 40 41 1 0 0 0 0 40 50 2 0 0 0 0 41 42 1 0 0 0 0 41 49 1 6 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 51 52 1 0 0 0 0 51 55 1 0 0 0 0 55 1 1 6 0 0 0 51 40 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 56 57 1 0 0 0 0 56 60 1 0 0 0 0 1 56 1 0 0 0 0 57 3 1 1 0 0 0 59 39 1 6 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 61 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 67 1 0 0 0 0 9 70 1 0 0 0 0 18 63 1 0 0 0 0 73 77 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 13 74 1 0 0 0 0 73 15 1 6 0 0 0 M END > BMDB0011728 > bmdb > N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O > InChI=1S/C50H73N15O12/c51-32(15-7-19-56-49(52)53)45(73)64-22-10-18-38(64)47(75)65-27-31(67)25-39(65)43(71)58-26-40(68)59-34(23-29-11-3-1-4-12-29)41(69)62-36(28-66)46(74)63-21-9-17-37(63)44(72)61-35(24-30-13-5-2-6-14-30)42(70)60-33(48(76)77)16-8-20-57-50(54)55/h1-6,11-14,31-39,66-67H,7-10,15-28,51H2,(H,58,71)(H,59,68)(H,60,70)(H,61,72)(H,62,69)(H,76,77)(H4,52,53,56)(H4,54,55,57)/t31-,32+,33+,34+,35+,36+,37+,38+,39+/m1/s1 > JXRLHZCEMXTCBN-DIBGMJQNSA-N > C50H73N15O12 > 1076.2079 > 1075.556312875 > 19 > 150 > 111.31503411314056 > 0 > 15 > 0 > 0 > (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-carbamimidamidopentanoic acid > -2.56 > -7.852803165294928 > -4.09 > 1 > 5 > 2 > 11.414807158198238 > -1.0496648182262147 > 12.33527864903964 > 434.01 > 296.40109999999993 > 27 > 0 > 8.71e-02 g/l > (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-carbamimidamidopentanoic acid > 0 > BMDB0011728 > Bradykinin hydroxyproline $$$$