Phenylmethyl N-[(2S)-4-Amino-1-[[(2S,3S)-4-[(2S)-2-(Tert-Butylcarbamoyl)Pyrrolidin-1-Yl]-3-Hydroxy-4-Oxo-1-Phenylbutan-2-Yl]Amino]-1,4-Dioxobutan-2-Yl]Carbamate
[CAS# 139694-65-8]

Identification

• Name: Phenylmethyl N-[(2S)-4-Amino-1-[[(2S,3S)-4-[(2S)-2-(Tert-Butylcarbamoyl)Pyrrolidin-1-Yl]-3-Hydroxy-4-Oxo-1-Phenylbutan-2-Yl]Amino]-1,4-Dioxobutan-2-Yl]Carbamate
• Synonyms: Phenylmethyl N-[(1S)-3-Amino-1-[[(1S,2S)-3-[(2S)-2-(Tert-Butylcarbamoyl)Pyrrolidin-1-Yl]-2-Hydroxy-3-Oxo-1-(Phenylmethyl)Propyl]Carbamoyl]-3-Oxo-Propyl]Carbamate; N-[(1S)-3-Amino-1-[[[(1S,2S)-3-[(2S)-2-[(Tert-Butylamino)-Oxomethyl]-1-Pyrrolidinyl]-2-Hydroxy-3-Oxo-1-(Phenylmethyl)Propyl]Amino]-Oxomethyl]-3-Oxopropyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-3-Amino-1-[[(1S,2S)-1-(Benzyl)-3-[(2S)-2-(Tert-Butylcarbamoyl)Pyrrolidin-1-Yl]-2-Hydroxy-3-Keto-Propyl]Carbamoyl]-3-Keto-Propyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₃₁H₄₁N₅O₇
• Molecular Weight: 595.69
• CAS Registry Number: 139694-65-8
• SMILES: [C@@H]3(N(C(=O)[C@@H](O)[C@@H](NC(=O)[C@@H](NC(OCC1=CC=CC=C1)=O)CC(=O)N)CC2=CC=CC=C2)CCC3)C(=O)NC(C)(C)C
• InChI: 1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
• InChIKey: XCVUOCMQYKSJJR-IGRGDXOOSA-N

Properties

• Density: 1.263g/cm³ (Cal.)
• Boiling point: 964.202°C at 760 mmHg (Cal.)
• Flash point: 536.93°C (Cal.)