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

Systemtic Name: O1-[(3S)-1-azanyl-15-methyl-1-oxidanylidene-hexadecan-3-yl] O6-methyl (2S)-2-[[(3S)-3-acetyloxy-15-methyl-hexadecanoyl]amino]hexanedioate Openeye Name: O1-[(1S)-1-(2-amino-2-oxo-ethyl)-13-methyl-tetradecyl] O6-methyl (2S)-2-[[(3S)-3-acetoxy-15-methyl-hexadecanoyl]amino]hexanedioate CAS Name: (2S)-2-[[(3S)-3-acetyloxy-15-methyl-1-oxohexadecyl]amino]hexanedioic acid O1-[(3S)-1-amino-15-methyl-1-oxohexadecan-3-yl] ester O6-methyl ester IUPAC Name: 1-O-[(3S)-1-amino-15-methyl-1-oxohexadecan-3-yl] 6-O-methyl (2S)-2-[[(3S)-3-acetyloxy-15-methylhexadecanoyl]amino]hexanedioate Traditional Name: (2S)-2-[[(3S)-3-acetoxy-15-methyl-hexadecanoyl]amino]adipic acid O1-[(1S)-1-(2-amino-2-keto-ethyl)-13-methyl-tetradecyl] ester O6-methyl ester Formula: C43H80N2O8 MolecularWeight: 753.1039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CCCCCCCCCCC[C@@H](CC(=O)N)OC(=O)[C@H](CCCC(=O)OC)NC(=O)C[C@H](CCCCCCCCCCCC(C)C)OC(=O)C

InChI

InChI=1S/C43H80N2O8/c1-34(2)26-21-17-13-9-7-11-15-19-23-28-37(32-40(44)47)53-43(50)39(30-25-31-42(49)51-6)45-41(48)33-38(52-36(5)46)29-24-20-16-12-8-10-14-18-22-27-35(3)4/h34-35,37-39H,7-33H2,1-6H3,(H2,44,47)(H,45,48)/t37-,38-,39-/m0/s1