(2S)-2-[3-(8-methylnonoxy)propyl-(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid

Systemtic Name: (2S)-2-[3-(8-methylnonoxy)propyl-(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid Openeye Name: (2S)-2-[(4-hydroxy-4-oxo-butanoyl)-[3-(8-methylnonoxy)propyl]amino]butanedioic acid CAS Name: (2S)-2-[(4-hydroxy-1,4-dioxobutyl)-[3-(8-methylnonoxy)propyl]amino]butanedioic acid IUPAC Name: (2S)-2-[(4-hydroxy-4-oxobutanoyl)-[3-(8-methylnonoxy)propyl]amino]butanedioic acid Traditional Name: (2S)-2-[(4-hydroxy-4-keto-butanoyl)-[3-(8-methylnonoxy)propyl]amino]succinic acid Formula: C21H37NO8 MolecularWeight: 431.52038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCOCCCN(C(CC(=O)O)C(=O)O)C(=O)CCC(=O)O

Isomeric SMILES

CC(C)CCCCCCCOCCCN([C@@H](CC(=O)O)C(=O)O)C(=O)CCC(=O)O

InChI

InChI=1S/C21H37NO8/c1-16(2)9-6-4-3-5-7-13-30-14-8-12-22(18(23)10-11-19(24)25)17(21(28)29)15-20(26)27/h16-17H,3-15H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1