(2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methylbutanoyl]Amino]-4-Methylpentanoyl]-2-[(2-Oxochromen-4-Yl)Methylamino]Hexanamide
[CAS# 148168-23-4]

Identification

• Name: (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methylbutanoyl]Amino]-4-Methylpentanoyl]-2-[(2-Oxochromen-4-Yl)Methylamino]Hexanamide
• Synonyms: (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]-2-[(2-Ketochromen-4-Yl)Methylamino]Hexanamide; (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]-2-[(2-Oxochromen-4-Yl)Methylamino]Hexanamide; (2S)-6-Amino-N-[(2S)-2-[[(2R)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]-2-[(2-Oxo-4-Chromenyl)Methylamino]Hexanamide
• Molecular Formula: C₂₇H₄₁N₅O₅
• Molecular Weight: 515.65
• CAS Registry Number: 148168-23-4
• SMILES: [C@@H](NCC1=CC(OC2=CC=CC=C12)=O)(C(=O)NC(=O)[C@@H](NC(=O)[C@H](N)C(C)C)CC(C)C)CCCCN
• InChI: 1S/C27H41N5O5/c1-16(2)13-21(31-27(36)24(29)17(3)4)26(35)32-25(34)20(10-7-8-12-28)30-15-18-14-23(33)37-22-11-6-5-9-19(18)22/h5-6,9,11,14,16-17,20-21,24,30H,7-8,10,12-13,15,28-29H2,1-4H3,(H,31,36)(H,32,34,35)/t20-,21-,24+/m0/s1
• InChIKey: DZHPGALRXWDGHE-AWRGLXIESA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 743.965°C at 760 mmHg (Cal.)
• Flash point: 403.735°C (Cal.)