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依替巴肽

Eptifibatide acetate salt

依替巴肽 , 依非巴肽 , 埃替非巴肽, [(3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid, Integrilin, 7H-Pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosine-17-acetic acid, 3-(aminocarbonyl)-11-[4-[(aminoiminomethyl)amino]butyl]docosahydro-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxo-, (3R,11S,17S,20S,25aS)-, Eptifibatide

CAS号: 188627-80-7

IUPAC名称: 2-[(3S,6S,12S,20R,23S)-20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid

分子式: C35H49N11O9S2

分子量: 831.962

InChI: InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1

InChIKey: CZKPOZZJODAYPZ-LROMGURASA-N

SMILES: C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N

EINECS: -