4-[1-[[(2S)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]benzoic acid

Systemtic Name: 4-[1-[[(2S)-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 4-[2-[[(1S)-1-carboxy-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]benzoic acid CAS Name: 4-[1-[[(2S)-1-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]benzoic acid IUPAC Name: 4-[1-[[(2S)-1-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]benzoic acid Traditional Name: 4-[2-[[(1S)-1-carboxy-3-methyl-butyl]amino]-2-keto-1-methyl-ethyl]benzoic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(C)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C(C)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H21NO5/c1-9(2)8-13(16(21)22)17-14(18)10(3)11-4-6-12(7-5-11)15(19)20/h4-7,9-10,13H,8H2,1-3H3,(H,17,18)(H,19,20)(H,21,22)/t10?,13-/m0/s1