N2-(3-Hydroxy-1-Oxododecyl)-L-Asparaginyl-N1-(1-Formyl-3-Methylbutyl)-L-Glutamamide
[CAS# 125882-62-4]

Identification

• Name: N2-(3-Hydroxy-1-Oxododecyl)-L-Asparaginyl-N1-(1-Formyl-3-Methylbutyl)-L-Glutamamide
• Synonyms: (4S)-4-Amino-5-[[(2S)-4-Amino-2-(3-Hydroxydodecanoylamino)-4-Oxo-Butanoyl]-(1-Formyl-3-Methyl-Butyl)Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(2S)-4-Amino-2-[(3-Hydroxy-1-Oxododecyl)Amino]-1,4-Dioxobutyl]-(1-Formyl-3-Methylbutyl)Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(2S)-4-Amino-2-(3-Hydroxydodecanoylamino)-4-Keto-Butanoyl]-(1-Formyl-3-Methyl-Butyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₇H₄₈N₄O₈
• Molecular Weight: 556.70
• CAS Registry Number: 125882-62-4
• SMILES: [C@H](C(=O)N(C(CC(C)C)C=O)C([C@@H](NC(CC(CCCCCCCCC)O)=O)CC(=O)N)=O)(N)CCC(=O)O
• InChI: 1S/C27H48N4O8/c1-4-5-6-7-8-9-10-11-20(33)15-24(35)30-22(16-23(29)34)27(39)31(19(17-32)14-18(2)3)26(38)21(28)12-13-25(36)37/h17-22,33H,4-16,28H2,1-3H3,(H2,29,34)(H,30,35)(H,36,37)/t19?,20?,21-,22-/m0/s1
• InChIKey: GURSMJKVYGQDIS-UJKMTWAASA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Boiling point: 813.905°C at 760 mmHg (Cal.)
• Flash point: 446.034°C (Cal.)