5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester
[CAS# 111070-40-7]

Identification

• Name: 5-(Benzyloxycarbonylphenylalanylarginylthioamido)isophthalic acid dimethyl ester
• Synonyms: Dimethyl 5-[[(1S)-1-[[(2S)-2-Benzyloxycarbonylamino-3-Phenyl-Propanoyl]Carbamoyl]-4-Guanidino-Butyl]Amino]Sulfanylbenzene-1,3-Dicarboxylate Hydrobromide; 5-[[[(1S)-1-[[[(2S)-2-Benzyloxycarbonylamino-1-Oxo-3-Phenylpropyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]Thio]Benzene-1,3-Dicarboxylic Acid Dimethyl Ester Hydrobromide; 5-[[[(1S)-1-[[(2S)-2-Benzyloxycarbonylamino-3-Phenyl-Propanoyl]Carbamoyl]-4-Guanidino-Butyl]Amino]Thio]Benzene-1,3-Dicarboxylic Acid Dimethyl Ester Hydrobromide
• Molecular Formula: C₃₃H₃₉BrN₆O₈S
• Molecular Weight: 759.67
• CAS Registry Number: 111070-40-7
• SMILES: [C@H](NSC1=CC(=CC(=C1)C(OC)=O)C(OC)=O)(CCCN=C(N)N)C(=O)NC(=O)[C@@H](NC(OCC2=CC=CC=C2)=O)CC3=CC=CC=C3.[H+].[Br-]
• InChI: 1S/C33H38N6O8S.BrH/c1-45-30(42)23-17-24(31(43)46-2)19-25(18-23)48-39-26(14-9-15-36-32(34)35)28(40)38-29(41)27(16-21-10-5-3-6-11-21)37-33(44)47-20-22-12-7-4-8-13-22;/h3-8,10-13,17-19,26-27,39H,9,14-16,20H2,1-2H3,(H,37,44)(H4,34,35,36)(H,38,40,41);1H/t26-,27-;/m0./s1
• InChIKey: QQCPHRXFCBQYCA-WMXJXTQLSA-N