Cyclo(alanylvalyl-2-aminobenzoylprolyl-N-methylphenylalanyl)
[CAS# 110297-46-6]

Identification

• Name: Cyclo(alanylvalyl-2-aminobenzoylprolyl-N-methylphenylalanyl)
• Synonyms: (2S)-N-[(1R,4S)-1-(2-Aminobenzoyl)-4-[[(2R)-2-Aminopropanoyl]Amino]-1-Formyl-5-Methyl-3-Oxo-2-Phenyl-Hex-5-Enyl]-N-Methyl-Pyrrolidine-2-Carboxamide; (2S)-N-[(1R,4S)-4-[[(2R)-2-Amino-1-Oxopropyl]Amino]-1-[(2-Aminophenyl)-Oxomethyl]-1-Formyl-5-Methyl-3-Oxo-2-Phenylhex-5-Enyl]-N-Methyl-2-Pyrrolidinecarboxamide; (2S)-N-[(1R,4S)-4-(Alanylamino)-1-(2-Aminobenzoyl)-1-Formyl-3-Keto-5-Methyl-2-Phenyl-Hex-5-Enyl]-N-Methyl-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₀H₃₇N₅O₅
• Molecular Weight: 547.65
• CAS Registry Number: 110297-46-6
• SMILES: [C@@](N(C(=O)[C@H]1NCCC1)C)(C(C(=O)[C@@H](NC(=O)[C@H](N)C)C(=C)C)C2=CC=CC=C2)(C(=O)C3=CC=CC=C3N)C=O
• InChI: 1S/C30H37N5O5/c1-18(2)25(34-28(39)19(3)31)26(37)24(20-11-6-5-7-12-20)30(17-36,27(38)21-13-8-9-14-22(21)32)35(4)29(40)23-15-10-16-33-23/h5-9,11-14,17,19,23-25,33H,1,10,15-16,31-32H2,2-4H3,(H,34,39)/t19-,23+,24?,25+,30+/m1/s1
• InChIKey: QMLRGCQMEXZWGZ-UADCXJISSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 819.449°C at 760 mmHg (Cal.)
• Flash point: 449.387°C (Cal.)