Methyl N-[(2S)-1-[[(2S,3S)-3-Hydroxy-4-[[[(2S)-2-(Methoxycarbonylamino)-3-Methylbutanoyl]Amino]-[[4-(1,3-Thiazol-2-Yl)Phenyl]Methyl]Amino]-1-Phenylbutan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamate
[CAS# 198904-05-1]

Identification

• Name: Methyl N-[(2S)-1-[[(2S,3S)-3-Hydroxy-4-[[[(2S)-2-(Methoxycarbonylamino)-3-Methylbutanoyl]Amino]-[[4-(1,3-Thiazol-2-Yl)Phenyl]Methyl]Amino]-1-Phenylbutan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamate
• Synonyms: Methyl N-[(1S)-1-[[(1S,2S)-2-Hydroxy-3-[[[(2S)-2-(Methoxycarbonylamino)-3-Methyl-Butanoyl]Amino]-[(4-Thiazol-2-Ylphenyl)Methyl]Amino]-1-(Phenylmethyl)Propyl]Carbamoyl]-2-Methyl-Propyl]Carbamate; N-[(1S)-1-[[[(1S,2S)-2-Hydroxy-3-[[[(2S)-2-(Methoxycarbonylamino)-3-Methyl-1-Oxobutyl]Amino]-[[4-(2-Thiazolyl)Phenyl]Methyl]Amino]-1-(Phenylmethyl)Propyl]Amino]-Oxomethyl]-2-Methylpropyl]Carbamic Acid Methyl Ester; N-[(1S)-1-[[(1S,2S)-1-(Benzyl)-3-[[[(2S)-2-(Carbomethoxyamino)-3-Methyl-Butanoyl]Amino]-(4-Thiazol-2-Ylbenzyl)Amino]-2-Hydroxy-Propyl]Carbamoyl]-2-Methyl-Propyl]Carbamic Acid Methyl Ester
• Molecular Formula: C₃₄H₄₆N₆O₇S
• Molecular Weight: 682.83
• CAS Registry Number: 198904-05-1
• SMILES: [C@@H](NC(=O)[C@@H](NC(OC)=O)C(C)C)([C@@H](O)CN(NC(=O)[C@@H](NC(OC)=O)C(C)C)CC2=CC=C(C1=NC=CS1)C=C2)CC3=CC=CC=C3
• InChI: 1S/C34H46N6O7S/c1-21(2)28(37-33(44)46-5)30(42)36-26(18-23-10-8-7-9-11-23)27(41)20-40(39-31(43)29(22(3)4)38-34(45)47-6)19-24-12-14-25(15-13-24)32-35-16-17-48-32/h7-17,21-22,26-29,41H,18-20H2,1-6H3,(H,36,42)(H,37,44)(H,38,45)(H,39,43)/t26-,27-,28-,29-/m0/s1
• InChIKey: HQUYNJRNCQHVNN-DZUOILHNSA-N

Properties

• Density: 1.23g/cm³ (Cal.)