O6-(1-azanyl-15-methyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(15-methyl-3-oxidanyl-hexadecanoyl)amino]hexanedioate

Systemtic Name: O6-(1-azanyl-15-methyl-1-oxidanylidene-hexadecan-3-yl) O1-(phenylmethyl) 2-[(15-methyl-3-oxidanyl-hexadecanoyl)amino]hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)-13-methyl-tetradecyl] O1-benzyl 2-[(3-hydroxy-15-methyl-hexadecanoyl)amino]hexanedioate CAS Name: 2-[(3-hydroxy-15-methyl-1-oxohexadecyl)amino]hexanedioic acid O6-(1-amino-15-methyl-1-oxohexadecan-3-yl) ester O1-(phenylmethyl) ester IUPAC Name: 6-O-(1-amino-15-methyl-1-oxohexadecan-3-yl) 1-O-benzyl 2-[(3-hydroxy-15-methylhexadecanoyl)amino]hexanedioate Traditional Name: 2-[(3-hydroxy-15-methyl-hexadecanoyl)amino]adipic acid O6-[1-(2-amino-2-keto-ethyl)-13-methyl-tetradecyl] ester O1-benzyl ester Formula: C47H82N2O7 MolecularWeight: 787.16318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)NC(CCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(=O)N)C(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CC(C)CCCCCCCCCCCC(CC(=O)NC(CCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(=O)N)C(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C47H82N2O7/c1-38(2)27-20-15-11-7-5-9-13-17-24-31-41(50)35-45(52)49-43(47(54)55-37-40-29-22-19-23-30-40)33-26-34-46(53)56-42(36-44(48)51)32-25-18-14-10-6-8-12-16-21-28-39(3)4/h19,22-23,29-30,38-39,41-43,50H,5-18,20-21,24-28,31-37H2,1-4H3,(H2,48,51)(H,49,52)