2-[2-[17-acetamido-3,7-dimethyl-5,16-bis(oxidanyl)heptadecan-4-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[17-acetamido-3,7-dimethyl-5,16-bis(oxidanyl)heptadecan-4-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-(14-acetamido-2,13-dihydroxy-4-methyl-1-sec-butyl-tetradecoxy)-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-(17-acetamido-5,16-dihydroxy-3,7-dimethylheptadecan-4-yl)oxy-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-(17-acetamido-5,16-dihydroxy-3,7-dimethylheptadecan-4-yl)oxy-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-(14-acetamido-2,13-dihydroxy-4-methyl-1-sec-butyl-tetradecoxy)-2-keto-ethyl]succinic acid Formula: C27H49NO9 MolecularWeight: 531.67926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(C)CCCCCCCCC(CNC(=O)C)O)O)OC(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C(C(CC(C)CCCCCCCCC(CNC(=O)C)O)O)OC(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C27H49NO9/c1-5-19(3)26(37-25(34)16-21(27(35)36)15-24(32)33)23(31)14-18(2)12-10-8-6-7-9-11-13-22(30)17-28-20(4)29/h18-19,21-23,26,30-31H,5-17H2,1-4H3,(H,28,29)(H,32,33)(H,35,36)