4-[2,6-bis(azanyl)hexanoyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 4-[2,6-bis(azanyl)hexanoyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]benzoic acid Openeye Name: 4-[2,6-diaminohexanoyl-(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]benzoic acid CAS Name: 4-[[(2,6-diamino-1-oxohexyl)-(1-hydroxy-1-oxopropan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[2,6-diaminohexanoyl-(1-hydroxy-1-oxopropan-2-yl)carbamoyl]benzoic acid Traditional Name: 4-[2,6-diaminohexanoyl-(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]benzoic acid Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C(=O)C1=CC=C(C=C1)C(=O)O)C(=O)C(CCCCN)N

Isomeric SMILES

CC(C(=O)O)N(C(=O)C1=CC=C(C=C1)C(=O)O)C(=O)C(CCCCN)N

InChI

InChI=1S/C17H23N3O6/c1-10(16(23)24)20(15(22)13(19)4-2-3-9-18)14(21)11-5-7-12(8-6-11)17(25)26/h5-8,10,13H,2-4,9,18-19H2,1H3,(H,23,24)(H,25,26)