N-Acetyl-3-Methyl-L-Valyl-3-Methyl-L-Valyl-3,3-Dimethyl-L-Asparaginyl-N-(4-Methyl-2-Oxo-2H-Chromen-7-Yl)-L-Alaninamide
[CAS# 204909-38-6]

Identification

• Name: N-Acetyl-3-Methyl-L-Valyl-3-Methyl-L-Valyl-3,3-Dimethyl-L-Asparaginyl-N-(4-Methyl-2-Oxo-2H-Chromen-7-Yl)-L-Alaninamide
• Synonyms: AC-TBU-GLY-TBU-GLY-ASN 2-ALA-AMC; L-Alaninamide, N-acetyl-3-methyl-L-valyl-3-methyl-L-valyl-3,3-dimethyl-L-asparaginyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-; N-Acetyl-3-methyl-L-valyl-3-methyl-L-valyl-3,3-dimethyl-L-asparaginyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-alaninamid
• Molecular Formula: C₃₃H₄₈N₆O₈
• Molecular Weight: 656.77
• CAS Registry Number: 204909-38-6
• SMILES: Cc1cc(=O)oc2c1ccc(c2)NC(=O)[C@H](C)NC(=O)[C@H](C(C)(C)C(=O)N)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C
• InChI: 1S/C33H48N6O8/c1-16-14-22(41)47-21-15-19(12-13-20(16)21)37-26(42)17(2)35-29(45)25(33(10,11)30(34)46)39-28(44)24(32(7,8)9)38-27(43)23(31(4,5)6)36-18(3)40/h12-15,17,23-25H,1-11H3,(H2,34,46)(H,35,45)(H,36,40)(H,37,42)(H,38,43)(H,39,44)/t17-,23+,24+,25+/m0/s1
• InChIKey: BPXWGHGGONTPAN-GXIQQZJTSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 1023.7±65.0°C at 760 mmHg (Cal.)
• Flash point: 572.9±34.3°C (Cal.)
• Refractive index: 1.556 (Cal.)