2-[2-[19-acetamido-5,9-dimethyl-16,18-bis(oxidanyl)-6-oxidanylidene-icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[19-acetamido-5,9-dimethyl-16,18-bis(oxidanyl)-6-oxidanylidene-icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[13-acetamido-10,12-dihydroxy-3-methyl-1-(2-methylhexanoyl)tetradecoxy]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoeicosan-7-yl)oxy-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-[13-acetamido-10,12-dihydroxy-3-methyl-1-(2-methylhexanoyl)tetradecoxy]-2-keto-ethyl]succinic acid Formula: C30H53NO10 MolecularWeight: 587.74252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)C(CC(C)CCCCCCC(CC(C(C)NC(=O)C)O)O)OC(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(C)C(=O)C(CC(C)CCCCCCC(CC(C(C)NC(=O)C)O)O)OC(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C30H53NO10/c1-6-7-13-20(3)29(38)26(41-28(37)17-23(30(39)40)16-27(35)36)15-19(2)12-10-8-9-11-14-24(33)18-25(34)21(4)31-22(5)32/h19-21,23-26,33-34H,6-18H2,1-5H3,(H,31,32)(H,35,36)(H,39,40)