2-[[(2S)-5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[(2S)-5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[(1S)-4-amino-1-carboxy-4-oxo-butyl]carbamoyl]benzoic acid CAS Name: 2-[[[(2S)-5-amino-1-hydroxy-1,5-dioxopentan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[(2S)-5-amino-1-hydroxy-1,5-dioxopentan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[(1S)-4-amino-1-carboxy-4-keto-butyl]carbamoyl]benzoic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c14-10(16)6-5-9(13(20)21)15-11(17)7-3-1-2-4-8(7)12(18)19/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)(H,20,21)/t9-/m0/s1