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

Systemtic Name: 2-[2-[17-azanyl-3,7-dimethyl-4,16-bis(oxidanyl)heptadecan-5-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[13-amino-12-hydroxy-1-(1-hydroxy-2-methyl-butyl)-3-methyl-tridecoxy]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-(17-amino-4,16-dihydroxy-3,7-dimethylheptadecan-5-yl)oxy-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-(17-amino-4,16-dihydroxy-3,7-dimethylheptadecan-5-yl)oxy-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[13-amino-12-hydroxy-1-(1-hydroxy-2-methyl-butyl)-3-methyl-tridecoxy]-2-keto-ethyl]succinic acid Formula: C25H47NO8 MolecularWeight: 489.64258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47NO8/c1-4-18(3)24(31)21(34-23(30)15-19(25(32)33)14-22(28)29)13-17(2)11-9-7-5-6-8-10-12-20(27)16-26/h17-21,24,27,31H,4-16,26H2,1-3H3,(H,28,29)(H,32,33)