4-[[(4S)-4-azanyl-5-methoxy-5-oxidanylidene-pentanoyl]amino]benzoic acid

Systemtic Name: 4-[[(4S)-4-azanyl-5-methoxy-5-oxidanylidene-pentanoyl]amino]benzoic acid Openeye Name: 4-[[(4S)-4-amino-5-methoxy-5-oxo-pentanoyl]amino]benzoic acid CAS Name: 4-[[(4S)-4-amino-5-methoxy-1,5-dioxopentyl]amino]benzoic acid IUPAC Name: 4-[[(4S)-4-amino-5-methoxy-5-oxopentanoyl]amino]benzoic acid Traditional Name: 4-[[(4S)-4-amino-5-keto-5-methoxy-pentanoyl]amino]benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=CC=C(C=C1)C(=O)O)N

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=CC=C(C=C1)C(=O)O)N

InChI

InChI=1S/C13H16N2O5/c1-20-13(19)10(14)6-7-11(16)15-9-4-2-8(3-5-9)12(17)18/h2-5,10H,6-7,14H2,1H3,(H,15,16)(H,17,18)/t10-/m0/s1