(2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methylbutanoyl]Amino]-4-Methylpentanoyl]-2-[(4-Methyl-2-Oxochromen-7-Yl)Amino]Hexanamide
[CAS# 152881-17-9]

Identification

• Name: (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methylbutanoyl]Amino]-4-Methylpentanoyl]-2-[(4-Methyl-2-Oxochromen-7-Yl)Amino]Hexanamide
• Synonyms: (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]-2-[(4-Methyl-2-Oxo-Chromen-7-Yl)Amino]Hexanamide; (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]-2-[(4-Methyl-2-Oxo-7-Chromenyl)Amino]Hexanamide; (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]-2-[(2-Keto-4-Methyl-Chromen-7-Yl)Amino]Hexanamide
• Molecular Formula: C₂₇H₄₁N₅O₅
• Molecular Weight: 515.65
• CAS Registry Number: 152881-17-9
• SMILES: [C@H](C(=O)NC([C@@H](NC([C@H](N)C(C)C)=O)CC(C)C)=O)(NC2=CC=C1C(=CC(OC1=C2)=O)C)CCCCN
• InChI: 1S/C27H41N5O5/c1-15(2)12-21(31-27(36)24(29)16(3)4)26(35)32-25(34)20(8-6-7-11-28)30-18-9-10-19-17(5)13-23(33)37-22(19)14-18/h9-10,13-16,20-21,24,30H,6-8,11-12,28-29H2,1-5H3,(H,31,36)(H,32,34,35)/t20-,21-,24+/m0/s1
• InChIKey: JCZNWTFQAZEOSZ-AWRGLXIESA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 777.367°C at 760 mmHg (Cal.)
• Flash point: 423.936°C (Cal.)