Mrv0541 10031320352D 72 75 0 0 0 0 999 V2000 13.8283 -8.2269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -7.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4352 -8.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7161 -7.8673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9970 -8.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2780 -7.8673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5589 -8.2269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8848 -7.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1658 -8.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -7.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9970 -9.0807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2780 -7.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9970 -6.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9970 -5.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6712 -5.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8848 -7.0135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5140 -6.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2107 -6.5191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2893 -5.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4354 -5.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4916 -6.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 -6.5191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0535 -6.9236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3344 -6.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6603 -6.9236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9413 -6.5191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4916 -7.7774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 -5.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4916 -5.3057 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.4916 -4.4967 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3344 -5.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6603 -7.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -8.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -8.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 -7.7774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -5.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 -5.3057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6603 -5.3057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5031 -5.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4754 -6.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 -6.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0373 -6.5347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 -7.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 -4.4967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5031 -3.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5031 -4.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 -2.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -3.2384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9413 -4.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -3.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -4.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7841 -2.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7841 -4.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 -3.2384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4916 -2.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2107 -3.2384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2107 -4.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3794 -3.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3794 -4.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0535 -2.8339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6603 -2.8339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6603 -4.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0535 -1.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6603 -1.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3794 -1.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -1.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3794 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6603 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8848 -2.8339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4916 -1.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6712 -4.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 10 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 11 5 2 0 0 0 0 7 6 1 0 0 0 0 6 12 1 1 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 16 8 1 1 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 72 15 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 18 1 0 0 0 0 20 19 1 0 0 0 0 22 21 1 1 0 0 0 27 21 2 0 0 0 0 23 22 1 0 0 0 0 28 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 31 24 2 0 0 0 0 26 25 1 0 0 0 0 25 32 1 6 0 0 0 36 26 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 57 30 1 0 0 0 0 33 32 1 0 0 0 0 34 33 2 0 0 0 0 35 33 1 0 0 0 0 37 36 1 0 0 0 0 38 36 2 0 0 0 0 37 39 1 6 0 0 0 44 37 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 41 2 0 0 0 0 49 44 1 0 0 0 0 47 45 1 0 0 0 0 52 45 1 0 0 0 0 46 45 2 0 0 0 0 53 46 1 0 0 0 0 48 47 1 6 0 0 0 61 48 1 0 0 0 0 49 48 1 0 0 0 0 62 49 2 0 0 0 0 51 50 1 0 0 0 0 52 50 2 0 0 0 0 53 51 2 0 0 0 0 55 54 1 0 0 0 0 60 54 1 0 0 0 0 56 55 1 0 0 0 0 71 55 2 0 0 0 0 57 56 1 0 0 0 0 56 70 1 1 0 0 0 59 58 2 0 0 0 0 60 58 1 0 0 0 0 61 58 1 0 0 0 0 60 63 1 6 0 0 0 65 63 1 0 0 0 0 66 64 2 0 0 0 0 65 64 1 0 0 0 0 68 65 2 0 0 0 0 67 66 1 0 0 0 0 69 67 2 0 0 0 0 69 68 1 0 0 0 0 M END > DB00093 > drugbank > NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O > InChI=1/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29-,30-,31-,32-,33-,34-,35-/s2 > InChIKey=SFKQVVDKFKYTNA-YVGXZPIDNA-N > 13 > 103.93121703841666 > 0 > 12 > 1039.436791367 > 0 > C46H65N13O11S2 > 0 > (2S)-6-amino-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13,16-dibenzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)hexanamide > -1.11 > -5.835369634601158 > -4.36 > 1040.219 > 1 > 4 > 2 > 11.7997867962954 > 11.385350067635363 > 10.176531109821177 > 405.3199999999998 > 264.7915 > 19 > 0 > 4.53e-02 g/l > felypressin > 0 > DB00093 > approved > Felypressin > 2-(L-phenylalanine)-8-L-lysinevasopressin; Felipresina; Felypressin; Felypressine; Felypressinum; PLV-2 > Colupressine; Octapressin $$$$