MeOH-Trp Eptifibatide

Analyte Name

MeOH-Trp Eptifibatide

Molecular Formula

C36 H51 N11 O10 S2

Molecular Weight

861.988

Accurate Mass

861.326

SMILES

NC(=N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc3cn(CO)c4ccccc34)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N

InChI

InChI=1S/C36H51N11O10S2/c37-31(53)25-18-59-58-13-10-28(49)42-22(7-3-4-11-40-36(38)39)32(54)41-16-29(50)43-23(15-30(51)52)33(55)44-24(35(57)47-12-5-9-27(47)34(56)45-25)14-20-17-46(19-48)26-8-2-1-6-21(20)26/h1-2,6,8,17,22-25,27,48H,3-5,7,9-16,18-19H2,(H2,37,53)(H,41,54)(H,42,49)(H,43,50)(H,44,55)(H,45,56)(H,51,52)(H4,38,39,40)/t22-,23-,24-,25-,27+/m0/s1

IUPAC

2-[(3S,6S,12S,20R,23R)-12-(4-carbamimidamidobutyl)-20-carbamoyl-3-[[1-(hydroxymethyl)indol-3-yl]methyl]-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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat