1-(N(2)-Benzyloxycarbonylornithyl-gamma-Glutamyl)Octahydro-1H-Indole-2-Carboxylic Acid
[CAS# 116587-12-3]

Identification

• Name: 1-(N(2)-Benzyloxycarbonylornithyl-gamma-Glutamyl)Octahydro-1H-Indole-2-Carboxylic Acid
• Synonyms: 1-[(4R)-4-[[(2S)-5-Amino-2-(Phenylmethoxycarbonylamino)Pentanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]-2,3,3A,4,5,6,7,7A-Octahydroindole-2-Carboxylic Acid; 1-[(4R)-4-[[(2S)-5-Amino-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Pentyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]-2,3,3A,4,5,6,7,7A-Octahydroindole-2-Carboxylic Acid; 1-[(4R)-4-[[(2S)-5-Amino-2-(Benzyloxycarbonylamino)Pentanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]-2,3,3A,4,5,6,7,7A-Octahydroindole-2-Carboxylic Acid
• Molecular Formula: C₂₇H₃₈N₄O₈
• Molecular Weight: 546.62
• CAS Registry Number: 116587-12-3
• SMILES: [C@@H](C(=O)O)(NC([C@@H](NC(=O)OCC1=CC=CC=C1)CCCN)=O)CCC(=O)N2C(CC3CCCCC23)C(=O)O
• InChI: 1S/C27H38N4O8/c28-14-6-10-19(30-27(38)39-16-17-7-2-1-3-8-17)24(33)29-20(25(34)35)12-13-23(32)31-21-11-5-4-9-18(21)15-22(31)26(36)37/h1-3,7-8,18-22H,4-6,9-16,28H2,(H,29,33)(H,30,38)(H,34,35)(H,36,37)/t18?,19-,20+,21?,22?/m0/s1
• InChIKey: XLRBNOSYGUXWOK-XBQGZOMUSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 886.648°C at 760 mmHg (Cal.)
• Flash point: 490.027°C (Cal.)