5-[[(4S)-4-azanyl-5-methoxy-5-oxidanylidene-pentanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[(4S)-4-azanyl-5-methoxy-5-oxidanylidene-pentanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[(4S)-4-amino-5-methoxy-5-oxo-pentanoyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[(4S)-4-amino-5-methoxy-1,5-dioxopentyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[(4S)-4-amino-5-methoxy-5-oxopentanoyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[(4S)-4-amino-5-keto-5-methoxy-pentanoyl]amino]-2-hydroxy-benzoic acid Formula: C13H16N2O6 MolecularWeight: 296.27594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-21-13(20)9(14)3-5-11(17)15-7-2-4-10(16)8(6-7)12(18)19/h2,4,6,9,16H,3,5,14H2,1H3,(H,15,17)(H,18,19)/t9-/m0/s1