(E)-N-[3-[2-[(2-azanyl-4-methyl-pentanoyl)amino]propanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-N-tetradecyl-octadec-9-enamide

Systemtic Name: (E)-N-[3-[2-[(2-azanyl-4-methyl-pentanoyl)amino]propanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-N-tetradecyl-octadec-9-enamide Openeye Name: (E)-N-[3-[2-[(2-amino-4-methyl-pentanoyl)amino]propanoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-N-tetradecyl-octadec-9-enamide CAS Name: (E)-N-[3-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-1-oxopropyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-N-tetradecyl-9-octadecenamide IUPAC Name: (E)-N-[3-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-tetradecyloctadec-9-enamide Traditional Name: (E)-N-[3-[2-[(2-amino-4-methyl-pentanoyl)amino]propanoylamino]-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]-N-myristyl-octadec-9-enamide Formula: C47H90N4O7 MolecularWeight: 823.2401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)C(C)NC(=O)C(CC(C)C)N)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCN(C1C(C(C(C(O1)CO)O)O)NC(=O)C(C)NC(=O)C(CC(C)C)N)C(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C47H90N4O7/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-41(53)51(34-32-30-28-26-24-19-17-15-13-11-9-7-2)47-42(44(55)43(54)40(36-52)58-47)50-45(56)38(5)49-46(57)39(48)35-37(3)4/h20-21,37-40,42-44,47,52,54-55H,6-19,22-36,48H2,1-5H3,(H,49,57)(H,50,56)/b21-20+