Phenylmethyl N-[(2S)-4-Methyl-1-[[(2S)-4-Methyl-2-[(1-Oxo-3-Phenylpropan-2-Yl)Amino]Pentanoyl]Amino]-1-Oxopentan-2-Yl]Carbamate
[CAS# 143839-79-6]

Identification

• Name: Phenylmethyl N-[(2S)-4-Methyl-1-[[(2S)-4-Methyl-2-[(1-Oxo-3-Phenylpropan-2-Yl)Amino]Pentanoyl]Amino]-1-Oxopentan-2-Yl]Carbamate
• Synonyms: Phenylmethyl N-[(1S)-1-[[(2S)-2-[(1-Formyl-2-Phenyl-Ethyl)Amino]-4-Methyl-Pentanoyl]Carbamoyl]-3-Methyl-Butyl]Carbamate; N-[(1S)-1-[[[(2S)-2-[(1-Formyl-2-Phenylethyl)Amino]-4-Methyl-1-Oxopentyl]Amino]-Oxomethyl]-3-Methylbutyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-1-[[(2S)-2-[[1-(Benzyl)-2-Keto-Ethyl]Amino]-4-Methyl-Pentanoyl]Carbamoyl]-3-Methyl-Butyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₂₉H₃₉N₃O₅
• Molecular Weight: 509.64
• CAS Registry Number: 143839-79-6
• SMILES: [C@H](C(=O)NC([C@@H](NC(=O)OCC1=CC=CC=C1)CC(C)C)=O)(NC(CC2=CC=CC=C2)C=O)CC(C)C
• InChI: 1S/C29H39N3O5/c1-20(2)15-25(30-24(18-33)17-22-11-7-5-8-12-22)27(34)32-28(35)26(16-21(3)4)31-29(36)37-19-23-13-9-6-10-14-23/h5-14,18,20-21,24-26,30H,15-17,19H2,1-4H3,(H,31,36)(H,32,34,35)/t24?,25-,26-/m0/s1
• InChIKey: DTIABGUJCAYDRL-WIXBZOCESA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 659.633°C at 760 mmHg (Cal.)
• Flash point: 352.733°C (Cal.)