N-(2-aminobenzoyl)-L-alanylglycyl-L-leucyl-N-[(4-nitrophenyl)methyl]-L-Alaninamide
[CAS# 100307-95-7]

Identification

• Name: N-(2-aminobenzoyl)-L-alanylglycyl-L-leucyl-N-[(4-nitrophenyl)methyl]-L-Alaninamide
• Synonyms: 2-Amino-N-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-Aminopropanoyl]Amino]Acetyl]Amino]-4-Methyl-Pentanoyl]Amino]Propanoyl]-N-[(4-Nitrophenyl)Methyl]Benzamide; 2-Amino-N-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxopropyl]-N-[(4-Nitrophenyl)Methyl]Benzamide; N-[(2S)-2-[[(2S)-2-[[2-(Alanylamino)Acetyl]Amino]-4-Methyl-Pentanoyl]Amino]Propanoyl]-2-Amino-N-(4-Nitrobenzyl)Benzamide
• Molecular Formula: C₂₈H₃₇N₇O₇
• Molecular Weight: 583.64
• CAS Registry Number: 100307-95-7
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)C)CC(C)C)(C(=O)N(C(=O)C1=CC=CC=C1N)CC2=CC=C([N+]([O-])=O)C=C2)C
• InChI: 1S/C28H37N7O7/c1-16(2)13-23(33-24(36)14-31-25(37)17(3)29)26(38)32-18(4)27(39)34(28(40)21-7-5-6-8-22(21)30)15-19-9-11-20(12-10-19)35(41)42/h5-12,16-18,23H,13-15,29-30H2,1-4H3,(H,31,37)(H,32,38)(H,33,36)/t17-,18-,23-/m0/s1
• InChIKey: SGQSGKWVFAVTFC-BSRJHKFKSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 937.528°C at 760 mmHg (Cal.)
• Flash point: 520.798°C (Cal.)