(2S)-1-[(2R,3R)-2-Amino-3-Methylpentanoyl]-N-[(2S)-5-(Diaminomethylideneamino)-1-[(4-Nitrophenyl)Amino]-1-Oxopentan-2-Yl]Pyrrolidine-2-Carboxamide
[CAS# 77672-35-6]

Identification

• Name: (2S)-1-[(2R,3R)-2-Amino-3-Methylpentanoyl]-N-[(2S)-5-(Diaminomethylideneamino)-1-[(4-Nitrophenyl)Amino]-1-Oxopentan-2-Yl]Pyrrolidine-2-Carboxamide
• Synonyms: (2S)-1-[(2R,3R)-2-Amino-3-Methyl-Pentanoyl]-N-[(1S)-4-Guanidino-1-[(4-Nitrophenyl)Carbamoyl]Butyl]Pyrrolidine-2-Carboxamide; (2S)-1-[(2R,3R)-2-Amino-3-Methyl-1-Oxopentyl]-N-[(1S)-4-Guanidino-1-[[(4-Nitrophenyl)Amino]-Oxomethyl]Butyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(2R,3R)-2-Amino-3-Methyl-Pentanoyl]-N-[(2S)-5-(Diaminomethylideneamino)-1-[(4-Nitrophenyl)Amino]-1-Oxo-Pentan-2-Yl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₂₃H₃₆N₈O₅
• Molecular Weight: 504.59
• CAS Registry Number: 77672-35-6
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H](N)[C@@H](CC)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C([N+]([O-])=O)C=C2
• InChI: 1S/C23H36N8O5/c1-3-14(2)19(24)22(34)30-13-5-7-18(30)21(33)29-17(6-4-12-27-23(25)26)20(32)28-15-8-10-16(11-9-15)31(35)36/h8-11,14,17-19H,3-7,12-13,24H2,1-2H3,(H,28,32)(H,29,33)(H4,25,26,27)/t14-,17+,18+,19-/m1/s1
• InChIKey: XHTORJWGZKCDGL-GRGSLBFTSA-N

Properties

• Density: 1.417g/cm³ (Cal.)