3-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-2-chloranyl-benzoic acid

Systemtic Name: 3-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-2-chloranyl-benzoic acid Openeye Name: 3-[[(4S)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-2-chloro-benzoic acid CAS Name: 3-[[(4S)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-2-chlorobenzoic acid IUPAC Name: 3-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-2-chlorobenzoic acid Traditional Name: 3-[[(4S)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-2-chloro-benzoic acid Formula: C12H13ClN2O5 MolecularWeight: 300.69502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O5/c13-10-6(11(17)18)2-1-3-8(10)15-9(16)5-4-7(14)12(19)20/h1-3,7H,4-5,14H2,(H,15,16)(H,17,18)(H,19,20)/t7-/m0/s1