Acetylalanyl-Alanyl-Lysyl Nitrite-Phenylalanyl-Alanyl-Alaninamide
[CAS# 82867-31-0]

Identification

• Name: Acetylalanyl-Alanyl-Lysyl Nitrite-Phenylalanyl-Alanyl-Alaninamide
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-6-Amino-N-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Nitrophenyl)-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]Hexanamide; N-[(1S)-2-[[(1S)-2-[[(1S)-5-Amino-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(4-Nitrophenyl)Propanoyl]Amino]Propanoyl]Amino]Propanoyl]Carbamoyl]Pentyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Acetamide; A-A-A-L-No2-P-A-A-A
• Molecular Formula: C₂₉H₄₅N₉O₉
• Molecular Weight: 663.73
• CAS Registry Number: 82867-31-0
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)C)C)(C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=C([N+]([O-])=O)C=C1)C)C)CCCCN
• InChI: 1S/C29H45N9O9/c1-15(32-19(5)39)24(40)33-17(3)26(42)36-23(8-6-7-13-30)29(45)37-27(43)18(4)34-25(41)16(2)35-28(44)22(31)14-20-9-11-21(12-10-20)38(46)47/h9-12,15-18,22-23H,6-8,13-14,30-31H2,1-5H3,(H,32,39)(H,33,40)(H,34,41)(H,35,44)(H,36,42)(H,37,43,45)/t15-,16-,17-,18-,22-,23-/m0/s1
• InChIKey: KVWQEKXTHGYYAQ-MPQCOTKXSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 1093.849°C at 760 mmHg (Cal.)
• Flash point: 615.338°C (Cal.)