Methyl N-[(2S)-1-[[(2S,3S)-3-Hydroxy-4-[[[(2R)-2-(Methoxycarbonylamino)-3-Methylsulfanylpropanoyl]Amino]-[[4-(1,3-Thiazol-5-Yl)Phenyl]Methyl]Amino]-1-Phenylbutan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamate
[CAS# 198903-95-6]

Identification

• Name: Methyl N-[(2S)-1-[[(2S,3S)-3-Hydroxy-4-[[[(2R)-2-(Methoxycarbonylamino)-3-Methylsulfanylpropanoyl]Amino]-[[4-(1,3-Thiazol-5-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-[[[(2R)-2-(Methoxycarbonylamino)-3-Methylsulfanyl-Propanoyl]Amino]-[(4-Thiazol-5-Ylphenyl)Methyl]Amino]-1-(Phenylmethyl)Propyl]Carbamoyl]-2-Methyl-Propyl]Carbamate; N-[(1S)-1-[[[(1S,2S)-2-Hydroxy-3-[[[(2R)-2-(Methoxycarbonylamino)-3-(Methylthio)-1-Oxopropyl]Amino]-[[4-(5-Thiazolyl)Phenyl]Methyl]Amino]-1-(Phenylmethyl)Propyl]Amino]-Oxomethyl]-2-Methylpropyl]Carbamic Acid Methyl Ester; N-[(1S)-1-[[(1S,2S)-1-(Benzyl)-3-[[[(2R)-2-(Carbomethoxyamino)-3-(Methylthio)Propanoyl]Amino]-(4-Thiazol-5-Ylbenzyl)Amino]-2-Hydroxy-Propyl]Carbamoyl]-2-Methyl-Propyl]Carbamic Acid Methyl Ester
• Molecular Formula: C₃₃H₄₄N₆O₇S₂
• Molecular Weight: 700.87
• CAS Registry Number: 198903-95-6
• SMILES: [C@@H](NC(=O)[C@@H](NC(OC)=O)C(C)C)([C@@H](O)CN(NC(=O)[C@@H](NC(OC)=O)CSC)CC2=CC=C(C1=CN=CS1)C=C2)CC3=CC=CC=C3
• InChI: 1S/C33H44N6O7S2/c1-21(2)29(37-33(44)46-4)31(42)35-25(15-22-9-7-6-8-10-22)27(40)18-39(38-30(41)26(19-47-5)36-32(43)45-3)17-23-11-13-24(14-12-23)28-16-34-20-48-28/h6-14,16,20-21,25-27,29,40H,15,17-19H2,1-5H3,(H,35,42)(H,36,43)(H,37,44)(H,38,41)/t25-,26-,27-,29-/m0/s1
• InChIKey: APTIZNCZOZNDMV-QFVIIZQESA-N

Properties

• Density: 1.269g/cm³ (Cal.)