Methyl N-[(2S)-1-[[(2S,3S)-4-[[[(2S)-2-(Ethoxycarbonylamino)-3-Methylbutanoyl]Amino]-[[4-(1,3-Thiazol-2-Yl)Phenyl]Methyl]Amino]-3-Hydroxy-1-Phenylbutan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamate
[CAS# 198904-04-0]

Identification

• Name: Methyl N-[(2S)-1-[[(2S,3S)-4-[[[(2S)-2-(Ethoxycarbonylamino)-3-Methylbutanoyl]Amino]-[[4-(1,3-Thiazol-2-Yl)Phenyl]Methyl]Amino]-3-Hydroxy-1-Phenylbutan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamate
• Synonyms: Methyl N-[(1S)-1-[[(1S,2S)-3-[[[(2S)-2-(Ethoxycarbonylamino)-3-Methyl-Butanoyl]Amino]-[(4-Thiazol-2-Ylphenyl)Methyl]Amino]-2-Hydroxy-1-(Phenylmethyl)Propyl]Carbamoyl]-2-Methyl-Propyl]Carbamate; N-[(1S)-1-[[[(1S,2S)-3-[[[(2S)-2-(Ethoxycarbonylamino)-3-Methyl-1-Oxobutyl]Amino]-[[4-(2-Thiazolyl)Phenyl]Methyl]Amino]-2-Hydroxy-1-(Phenylmethyl)Propyl]Amino]-Oxomethyl]-2-Methylpropyl]Carbamic Acid Methyl Ester; N-[(1S)-1-[[(1S,2S)-1-(Benzyl)-3-[[[(2S)-2-(Carbethoxyamino)-3-Methyl-Butanoyl]Amino]-(4-Thiazol-2-Ylbenzyl)Amino]-2-Hydroxy-Propyl]Carbamoyl]-2-Methyl-Propyl]Carbamic Acid Methyl Ester
• Molecular Formula: C₃₅H₄₈N₆O₇S
• Molecular Weight: 696.86
• CAS Registry Number: 198904-04-0
• SMILES: [C@@H](NC(=O)[C@@H](NC(OC)=O)C(C)C)([C@@H](O)CN(NC(=O)[C@@H](NC(OCC)=O)C(C)C)CC2=CC=C(C1=NC=CS1)C=C2)CC3=CC=CC=C3
• InChI: 1S/C35H48N6O7S/c1-7-48-35(46)39-30(23(4)5)32(44)40-41(20-25-13-15-26(16-14-25)33-36-17-18-49-33)21-28(42)27(19-24-11-9-8-10-12-24)37-31(43)29(22(2)3)38-34(45)47-6/h8-18,22-23,27-30,42H,7,19-21H2,1-6H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)/t27-,28-,29-,30-/m0/s1
• InChIKey: CDLBDKFGLPOPNN-KRCBVYEFSA-N

Properties

• Density: 1.219g/cm³ (Cal.)