D-Phenylalanyl-N-[(1S)-4-[(Aminoiminomethyl)Amino]-1-(2-Chloroacetyl)Butyl]-L-Prolinamide
[CAS# 71142-71-7]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Arginine derivatives
• Name: D-Phenylalanyl-N-[(1S)-4-[(Aminoiminomethyl)Amino]-1-(2-Chloroacetyl)Butyl]-L-Prolinamide
• Synonyms: (2S)-N-[(2R)-2-Amino-3-Phenyl-Propanoyl]-1-[(1S)-1-(2-Chloroacetyl)-4-Guanidino-Butyl]Pyrrolidine-2-Carboxamide; (2S)-N-[(2R)-2-Amino-1-Oxo-3-Phenylpropyl]-1-[(1S)-1-(2-Chloro-1-Oxoethyl)-4-Guanidinobutyl]-2-Pyrrolidinecarboxamide; (2S)-N-[(2R)-2-Amino-3-Phenyl-Propanoyl]-1-[(3S)-1-Chloro-6-(Diaminomethylideneamino)-2-Oxo-Hexan-3-Yl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₂₁H₃₁ClN₆O₃
• Molecular Weight: 450.97
• CAS Registry Number: 71142-71-7
• SMILES: [C@@H]1(N(CCC1)[C@@H](CCCN=C(N)N)C(=O)CCl)C(=O)NC(=O)[C@H](N)CC2=CC=CC=C2
• InChI: 1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)28-11-5-9-17(28)20(31)27-19(30)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H4,24,25,26)(H,27,30,31)/t15-,16+,17+/m1/s1
• InChIKey: BBLOJOHIPXAIRZ-IKGGRYGDSA-N

Properties

• Density: 1.387g/cm³ (Cal.)