N-Methyl-D-phenylalanyl-N-((1S)-1-formyl-4-guanidinobutyl)-L-prolinamide sulfate (1:1)
[CAS# 105806-65-3]

Identification

• Name: N-Methyl-D-phenylalanyl-N-((1S)-1-formyl-4-guanidinobutyl)-L-prolinamide sulfate (1:1)
• Synonyms: (2S)-N-[(1S)-1-Formyl-4-Guanidino-Butyl]-1-[(2R)-2-Methylamino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxamide; Sulfuric Acid; (2S)-N-[(1S)-1-Formyl-4-Guanidinobutyl]-1-[(2R)-2-Methylamino-1-Oxo-3-Phenylpropyl]-2-Pyrrolidinecarboxamide; Sulfuric Acid; (2S)-N-[(2S)-5-(Diaminomethylideneamino)-1-Oxo-Pentan-2-Yl]-1-[(2R)-2-Methylamino-3-Phenyl-Propanoyl]Pyrrolidine-2-Carboxamide; Sulfuric Acid
• Molecular Formula: C₂₁H₃₄N₆O₇S
• Molecular Weight: 514.60
• CAS Registry Number: 105806-65-3 (126721-07-1)
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H](NC)CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C=O.O=[S](O)(O)=O
• InChI: 1S/C21H32N6O3.H2O4S/c1-24-17(13-15-7-3-2-4-8-15)20(30)27-12-6-10-18(27)19(29)26-16(14-28)9-5-11-25-21(22)23;1-5(2,3)4/h2-4,7-8,14,16-18,24H,5-6,9-13H2,1H3,(H,26,29)(H4,22,23,25);(H2,1,2,3,4)/t16-,17+,18-;/m0./s1
• InChIKey: BISKEOIROPAOGY-RXQQAGQTSA-N

Properties

• Boiling point: 828.2°C at 760 mmHg (Cal.)
• Flash point: 454.7°C (Cal.)