Tyrosyl-methionyl-O-glycyl-para-nitro-phenylalanyl-prolinamide
[CAS# 98311-64-9]

Identification

• Name: Tyrosyl-methionyl-O-glycyl-para-nitro-phenylalanyl-prolinamide
• Synonyms: (2S)-N-(2-Aminoacetyl)-1-[(2S)-2-Amino-3-(2-Amino-5-Methylsulfinyl-4-Nitro-Phenyl)Propanoyl]-N-Butanoyl-Pyrrolidine-2-Carboxamide; (4S)-4-Amino-5-(4-Hydroxyphenyl)-3-Oxo-Pentanoic Acid; (2S)-1-[(2S)-2-Amino-3-(2-Amino-5-Methylsulfinyl-4-Nitrophenyl)-1-Oxop
• Molecular Formula: C₃₂H₄₃N₇O₁₁S
• Molecular Weight: 733.79
• CAS Registry Number: 98311-64-9
• SMILES: [C@@H]2(N(C(=O)[C@@H](N)CC1=CC(=C([N+]([O-])=O)C=C1N)[S](=O)C)CCC2)C(=O)N(C(=O)CCC)C(=O)CN.[C@H](N)(CC3=CC=C(O)C=C3)C(=O)CC(=O)O
• InChI: 1S/C21H30N6O7S.C11H13NO4/c1-3-5-18(28)26(19(29)11-22)21(31)15-6-4-7-25(15)20(30)14(24)8-12-9-17(35(2)34)16(27(32)33)10-13(12)23;12-9(10(14)6-11(15)16)5-7-1-3-8(13)4-2-7/h9-10,14-15H,3-8,11,22-24H2,1-2H3;1-4,9,13H,5-6,12H2,(H,15,16)/t14-,15-,35?;9-/m00/s1
• InChIKey: PZOXHYSFXUPLOQ-YYPVNEGQSA-N

Properties

• Boiling point: 813.6°C at 760 mmHg (Cal.)
• Flash point: 445.9°C (Cal.)