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

Systemtic Name: 4-[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-1-oxidanyl-1-oxidanylidene-propan-2-yl]benzoic acid Openeye Name: 4-[(1S)-1-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-2-hydroxy-1-methyl-2-oxo-ethyl]benzoic acid CAS Name: 4-[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-hydroxy-1-oxopropan-2-yl]benzoic acid IUPAC Name: 4-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-1-hydroxy-1-oxopropan-2-yl]benzoic acid Traditional Name: 4-[(1S)-1-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-2-hydroxy-2-keto-1-methyl-ethyl]benzoic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5/c1-9(2)8-12(17)13(19)18-16(3,15(22)23)11-6-4-10(5-7-11)14(20)21/h4-7,9,12H,8,17H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)/t12-,16-/m0/s1