1-(N(2)-Benzyloxycarbonyllysyl-gamma-Glutamyl)Octahydro-1H-Indole-2-Carboxylic Acid
[CAS# 116587-09-8]

Identification

• Name: 1-(N(2)-Benzyloxycarbonyllysyl-gamma-Glutamyl)Octahydro-1H-Indole-2-Carboxylic Acid
• Synonyms: 1-[(4R)-4-[[(2S)-6-Amino-2-(Phenylmethoxycarbonylamino)Hexanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]-2,3,3A,4,5,6,7,7A-Octahydroindole-2-Carboxylic Acid; 1-[(4R)-4-[[(2S)-6-Amino-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Hexyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]-2,3,3A,4,5,6,7,7A-Octahydroindole-2-Carboxylic Acid; 1-[(4R)-4-[[(2S)-6-Amino-2-(Benzyloxycarbonylamino)Hexanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]-2,3,3A,4,5,6,7,7A-Octahydroindole-2-Carboxylic Acid
• Molecular Formula: C₂₈H₄₀N₄O₈
• Molecular Weight: 560.65
• CAS Registry Number: 116587-09-8
• SMILES: [C@@H](C(=O)O)(NC([C@@H](NC(=O)OCC1=CC=CC=C1)CCCCN)=O)CCC(=O)N2C(CC3CCCCC23)C(=O)O
• InChI: 1S/C28H40N4O8/c29-15-7-6-11-20(31-28(39)40-17-18-8-2-1-3-9-18)25(34)30-21(26(35)36)13-14-24(33)32-22-12-5-4-10-19(22)16-23(32)27(37)38/h1-3,8-9,19-23H,4-7,10-17,29H2,(H,30,34)(H,31,39)(H,35,36)(H,37,38)/t19?,20-,21+,22?,23?/m0/s1
• InChIKey: AXRXFRGZPISJFC-DUVRESGISA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 888.656°C at 760 mmHg (Cal.)
• Flash point: 491.242°C (Cal.)