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

Systemtic Name: 2-[2-[17-acetamido-3,7-dimethyl-4,16-bis(oxidanyl)heptadecan-5-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[13-acetamido-12-hydroxy-1-(1-hydroxy-2-methyl-butyl)-3-methyl-tridecoxy]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-(17-acetamido-4,16-dihydroxy-3,7-dimethylheptadecan-5-yl)oxy-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-(17-acetamido-4,16-dihydroxy-3,7-dimethylheptadecan-5-yl)oxy-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[13-acetamido-12-hydroxy-1-(1-hydroxy-2-methyl-butyl)-3-methyl-tridecoxy]-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)OC(=O)CC(CC(=O)O)C(=O)O)O

Isomeric SMILES

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

InChI

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