N-(3-N-(Benzyloxycarbonyl)Amino-1-Carboxypropyl)Leucyl-O-Methyltyrosine N-Methylamide
[CAS# 101470-42-2]

Identification

• Name: N-(3-N-(Benzyloxycarbonyl)Amino-1-Carboxypropyl)Leucyl-O-Methyltyrosine N-Methylamide
• Synonyms: 2-[[1-[[1-[(4-Methoxyphenyl)Methyl]-2-Methylamino-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-4-[(2-Phenylacetyl)Amino]Butanoic Acid; 2-[[1-[[[1-[(4-Methoxyphenyl)Methyl]-2-Methylamino-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-4-[(1-Oxo-2-Phenylethyl)Amino]Butanoic Acid; 2-[[1-[[2-Keto-1-(4-Methoxybenzyl)-2-Methylamino-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-4-[(2-Phenylacetyl)Amino]Butyric Acid
• Molecular Formula: C₂₉H₄₀N₄O₆
• Molecular Weight: 540.66
• CAS Registry Number: 101470-42-2
• SMILES: C2=C(CC(NCCC(NC(C(=O)NC(C(=O)NC)CC1=CC=C(C=C1)OC)C(C)CC)C(=O)O)=O)C=CC=C2
• InChI: 1S/C29H40N4O6/c1-5-19(2)26(28(36)33-24(27(35)30-3)17-21-11-13-22(39-4)14-12-21)32-23(29(37)38)15-16-31-25(34)18-20-9-7-6-8-10-20/h6-14,19,23-24,26,32H,5,15-18H2,1-4H3,(H,30,35)(H,31,34)(H,33,36)(H,37,38)
• InChIKey: HKLHBGKJUMWZMH-UHFFFAOYSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 873.976°C at 760 mmHg (Cal.)
• Flash point: 482.363°C (Cal.)