(2S,3R)-2-[[(2S)-4-Amino-2-[[(3R)-3-Hydroxydodecanoyl]Amino]-4-Oxobutanoyl]Amino]-3-Hydroxy-N-(4-Methyl-1-Oxopentan-2-Yl)Pentanediamide
[CAS# 138682-08-3]

Identification

• Name: (2S,3R)-2-[[(2S)-4-Amino-2-[[(3R)-3-Hydroxydodecanoyl]Amino]-4-Oxobutanoyl]Amino]-3-Hydroxy-N-(4-Methyl-1-Oxopentan-2-Yl)Pentanediamide
• Synonyms: (2S,3R)-2-[[(2S)-4-Amino-2-[[(3R)-3-Hydroxydodecanoyl]Amino]-4-Oxo-Butanoyl]Amino]-N-(1-Formyl-3-Methyl-Butyl)-3-Hydroxy-Pentanediamide; (2S,3R)-2-[[(2S)-4-Amino-2-[[(3R)-3-Hydroxy-1-Oxododecyl]Amino]-1,4-Dioxobutyl]Amino]-N-(1-Formyl-3-Methylbutyl)-3-Hydroxypentanediamide; (2S,3R)-2-[[(2S)-4-Amino-2-[[(3R)-3-Hydroxydodecanoyl]Amino]-4-Keto-Butanoyl]Amino]-N-(1-Formyl-3-Methyl-Butyl)-3-Hydroxy-Glutaramide
• Molecular Formula: C₂₇H₄₉N₅O₈
• Molecular Weight: 571.71
• CAS Registry Number: 138682-08-3
• SMILES: [C@H](C(NC(C=O)CC(C)C)=O)(NC([C@H](CC(=O)N)NC(C[C@H](O)CCCCCCCCC)=O)=O)[C@@H](CC(=O)N)O
• InChI: 1S/C27H49N5O8/c1-4-5-6-7-8-9-10-11-19(34)13-24(38)31-20(14-22(28)36)26(39)32-25(21(35)15-23(29)37)27(40)30-18(16-33)12-17(2)3/h16-21,25,34-35H,4-15H2,1-3H3,(H2,28,36)(H2,29,37)(H,30,40)(H,31,38)(H,32,39)/t18?,19-,20+,21-,25+/m1/s1
• InChIKey: DHYUJQKWCJOPLE-GSZDTLHVSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 965.309°C at 760 mmHg (Cal.)
• Flash point: 537.6°C (Cal.)