N-[3-Hydroxy-1-[[(2S)-1-[(2R)-2-(Hydroxymethyl)Oxiran-2-Yl]-4-Methyl-1-Oxopent-4-En-2-Yl]Amino]-1-Oxopropan-2-Yl]-6-Methylheptanamide
[CAS# 126509-46-4]

Identification

• Name: N-[3-Hydroxy-1-[[(2S)-1-[(2R)-2-(Hydroxymethyl)Oxiran-2-Yl]-4-Methyl-1-Oxopent-4-En-2-Yl]Amino]-1-Oxopropan-2-Yl]-6-Methylheptanamide
• Synonyms: N-[1-(Hydroxymethyl)-2-[[(1S)-1-[(2R)-2-(Hydroxymethyl)Oxirane-2-Carbonyl]-3-Methyl-But-3-Enyl]Amino]-2-Oxo-Ethyl]-6-Methyl-Heptanamide; N-[1-(Hydroxymethyl)-2-[[(1S)-1-[[(2R)-2-(Hydroxymethyl)-2-Oxiranyl]-Oxomethyl]-3-Methylbut-3-Enyl]Amino]-2-Oxoethyl]-6-Methylheptanamide; N-[2-Keto-2-[[(1S)-3-Methyl-1-[(2R)-2-Methyloloxirane-2-Carbonyl]But-3-Enyl]Amino]-1-Methylol-Ethyl]-6-Methyl-Enanthamide
• Molecular Formula: C₂₀H₃₄N₂O₆
• Molecular Weight: 398.50
• CAS Registry Number: 126509-46-4
• SMILES: [C@H](NC(C(NC(CCCCC(C)C)=O)CO)=O)(CC(=C)C)C(=O)[C@@]1(OC1)CO
• InChI: 1S/C20H34N2O6/c1-13(2)7-5-6-8-17(25)21-16(10-23)19(27)22-15(9-14(3)4)18(26)20(11-24)12-28-20/h13,15-16,23-24H,3,5-12H2,1-2,4H3,(H,21,25)(H,22,27)/t15-,16?,20+/m0/s1
• InChIKey: ZPLVYYNMRMBNGE-XNKIQEMOSA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Boiling point: 677.195°C at 760 mmHg (Cal.)
• Flash point: 363.355°C (Cal.)