(3R)-N-[(3R)-1-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-formyl-5-methyl-2-oxohexan-3-yl]-3-hydroxy-N-methyl-2-methylideneundecanamide
[CAS# 69639-47-0]

Identification

• Name: (3R)-N-[(3R)-1-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-formyl-5-methyl-2-oxohexan-3-yl]-3-hydroxy-N-methyl-2-methylideneundecanamide
• Synonyms: (3R)-N-[(1R)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Methyl-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Acetyl]-1-Formyl-3-Methyl-Butyl]-3-Hydroxy-N-Methyl-2-Methylene-Undecanamide; (3R)-N-[(1R)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Methyl-1-Oxopentyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-1-Oxoethyl]-1-Formyl-3-Methylbutyl]-3-Hydroxy-N-Methyl-2-Methyleneundecanamide; N-[(1R)-1-[2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-Amino-3-Methyl-Pentanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]Acetyl]-1-Formyl-3-Methyl-Butyl]-2-[(1R)-1-Hydroxynonyl]-N-Methyl-Acrylamide
• Molecular Formula: C₃₄H₆₁N₅O₉
• Molecular Weight: 683.88
• CAS Registry Number: 69639-47-0
• SMILES: [C@](C=O)(N(C)C(C([C@@H](CCCCCCCC)O)=C)=O)(CC(C)C)C(CNC([C@@H](NC([C@@H](NC([C@@H](N)[C@@H](CC)C)=O)CO)=O)[C@H](C)O)=O)=O
• InChI: 1S/C34H61N5O9/c1-9-11-12-13-14-15-16-26(43)23(6)33(48)39(8)34(20-41,17-21(3)4)27(44)18-36-32(47)29(24(7)42)38-30(45)25(19-40)37-31(46)28(35)22(5)10-2/h20-22,24-26,28-29,40,42-43H,6,9-19,35H2,1-5,7-8H3,(H,36,47)(H,37,46)(H,38,45)/t22-,24+,25+,26-,28+,29+,34-/m1/s1
• InChIKey: BINCSGXJKYDHCL-GUOYJVKZSA-N

Properties

• Density: 1.139g/cm³ (Cal.)
• Boiling point: 937.533°C at 760 mmHg (Cal.)
• Flash point: 520.801°C (Cal.)