2-Amino-N-[1-[(7-Amino-1-Chloro-2-Oxoheptan-3-Yl)Amino]-1-Oxo-3-Phenylpropan-2-Yl]-3-Methylpentanamide
[CAS# 126642-86-2]

Identification

• Name: 2-Amino-N-[1-[(7-Amino-1-Chloro-2-Oxoheptan-3-Yl)Amino]-1-Oxo-3-Phenylpropan-2-Yl]-3-Methylpentanamide
• Synonyms: 2-Amino-N-[2-[[5-Amino-1-(2-Chloroacetyl)Pentyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-3-Methyl-Pentanamide; 2-Amino-N-[2-[[5-Amino-1-(2-Chloro-1-Oxoethyl)Pentyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-3-Methylpentanamide; 2-Amino-N-[2-[[5-Amino-1-(2-Chloroacetyl)Pentyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]-3-Methyl-Valeramide
• Molecular Formula: C₂₂H₃₅ClN₄O₃
• Molecular Weight: 439.00
• CAS Registry Number: 126642-86-2
• SMILES: C1=C(CC(C(NC(C(CCl)=O)CCCCN)=O)NC(C(C(CC)C)N)=O)C=CC=C1
• InChI: 1S/C22H35ClN4O3/c1-3-15(2)20(25)22(30)27-18(13-16-9-5-4-6-10-16)21(29)26-17(19(28)14-23)11-7-8-12-24/h4-6,9-10,15,17-18,20H,3,7-8,11-14,24-25H2,1-2H3,(H,26,29)(H,27,30)
• InChIKey: QKUSFDORBSMJEV-UHFFFAOYSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 712.438°C at 760 mmHg (Cal.)
• Flash point: 384.669°C (Cal.)