(2R)-2-Amino-N-[(2S)-2-[[(3S)-7-Amino-1-Chloro-2-Oxoheptan-3-Yl]Amino]-3-Phenylpropanoyl]-3-Methylbutanamide
[CAS# 75590-17-9]

Identification

• Name: (2R)-2-Amino-N-[(2S)-2-[[(3S)-7-Amino-1-Chloro-2-Oxoheptan-3-Yl]Amino]-3-Phenylpropanoyl]-3-Methylbutanamide
• Synonyms: (2R)-2-Amino-N-[(2S)-2-[[(1S)-5-Amino-1-(2-Chloroacetyl)Pentyl]Amino]-3-Phenyl-Propanoyl]-3-Methyl-Butanamide; (2R)-2-Amino-N-[(2S)-2-[[(1S)-5-Amino-1-(2-Chloro-1-Oxoethyl)Pentyl]Amino]-1-Oxo-3-Phenylpropyl]-3-Methylbutanamide; (2R)-2-Amino-N-[(2S)-2-[[(1S)-5-Amino-1-(2-Chloroacetyl)Pentyl]Amino]-3-Phenyl-Propanoyl]-3-Methyl-Butyramide
• Molecular Formula: C₂₁H₃₃ClN₄O₃
• Molecular Weight: 424.97
• CAS Registry Number: 75590-17-9
• SMILES: [C@H](C(=O)NC([C@H](N)C(C)C)=O)(N[C@@H](CCCCN)C(=O)CCl)CC1=CC=CC=C1
• InChI: 1S/C21H33ClN4O3/c1-14(2)19(24)21(29)26-20(28)17(12-15-8-4-3-5-9-15)25-16(18(27)13-22)10-6-7-11-23/h3-5,8-9,14,16-17,19,25H,6-7,10-13,23-24H2,1-2H3,(H,26,28,29)/t16-,17-,19+/m0/s1
• InChIKey: RGFUBDSAHDNATK-JENIJYKNSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 619.635°C at 760 mmHg (Cal.)
• Flash point: 328.544°C (Cal.)