2-[[4-(2-acetamidocyclohexyl)oxy-2-azanyl-2-methyl-3-oxidanylidene-butanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[4-(2-acetamidocyclohexyl)oxy-2-azanyl-2-methyl-3-oxidanylidene-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[4-(2-acetamidocyclohexoxy)-2-amino-2-methyl-3-oxo-butanoyl]amino]pentanedioic acid CAS Name: 2-[[4-(2-acetamidocyclohexyl)oxy-2-amino-2-methyl-1,3-dioxobutyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(2-acetamidocyclohexyl)oxy-2-amino-2-methyl-3-oxobutanoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(2-acetamidocyclohexoxy)-2-amino-3-keto-2-methyl-butanoyl]amino]glutaric acid Formula: C18H29N3O8 MolecularWeight: 415.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCCCC1OCC(=O)C(C)(C(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

CC(=O)NC1CCCCC1OCC(=O)C(C)(C(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C18H29N3O8/c1-10(22)20-11-5-3-4-6-13(11)29-9-14(23)18(2,19)17(28)21-12(16(26)27)7-8-15(24)25/h11-13H,3-9,19H2,1-2H3,(H,20,22)(H,21,28)(H,24,25)(H,26,27)