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Product Overview

Product Code

TRC-E592000

CAS Number

188627-80-7

Product Format

Neat

Molecular Formula

C35 H49 N11 O9 S2

Molecular Weight

831.96

API Family

Eptifibatide

Product Categories

TRC, API Reference Standards & Research Materials, Additional Neuro Products, Cell adhesion molecules, Pain and Inflammation, Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Documentation

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Product Information

Chemical Data

Analyte Name

Eptifibatide

CAS Number

188627-80-7

Molecular Formula

C35 H49 N11 O9 S2

Molecular Weight

831.96

Accurate Mass

831.3156

SMILES

NC(=N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N

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

IUPAC

2-[(3S,6S,12S,20R,23S)-12-(4-carbamimidamidobutyl)-20-carbamoyl-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

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Eptifibatide

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