5-[[(2S)-1-[[(2S)-1-[[(2S)-2-[(4-Methyl-2-Oxochromen-7-Yl)Amino]-3-Phenylpropanoyl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 144398-31-2]

Identification

• Name: 5-[[(2S)-1-[[(2S)-1-[[(2S)-2-[(4-Methyl-2-Oxochromen-7-Yl)Amino]-3-Phenylpropanoyl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: 5-[[(1S)-1-Methyl-2-[[(1S)-1-Methyl-2-[[(2S)-2-[(4-Methyl-2-Oxo-Chromen-7-Yl)Amino]-3-Phenyl-Propanoyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; 5-[[(1S)-1-Methyl-2-[[(1S)-1-Methyl-2-[[(2S)-2-[(4-Methyl-2-Oxo-7-Chromenyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; 5-Keto-5-[[(1S)-2-Keto-2-[[(1S)-2-Keto-2-[[(2S)-2-[(2-Keto-4-Methyl-Chromen-7-Yl)Amino]-3-Phenyl-Propanoyl]Amino]-1-Methyl-Ethyl]Amino]-1-Methyl-Ethyl]Amino]Valeric Acid
• Molecular Formula: C₃₀H₃₄N₄O₈
• Molecular Weight: 578.62
• CAS Registry Number: 144398-31-2
• SMILES: [C@@H](NC1=CC=C2C(=C1)OC(=O)C=C2C)(C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCC(=O)O)C)C)CC3=CC=CC=C3
• InChI: 1S/C30H34N4O8/c1-17-14-27(38)42-24-16-21(12-13-22(17)24)33-23(15-20-8-5-4-6-9-20)30(41)34-29(40)19(3)32-28(39)18(2)31-25(35)10-7-11-26(36)37/h4-6,8-9,12-14,16,18-19,23,33H,7,10-11,15H2,1-3H3,(H,31,35)(H,32,39)(H,36,37)(H,34,40,41)/t18-,19-,23-/m0/s1
• InChIKey: RVULACOTIZBPNQ-YDHSSHFGSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 970.693°C at 760 mmHg (Cal.)
• Flash point: 540.856°C (Cal.)