3-[[[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]methyl]benzoic acid

Systemtic Name: 3-[[[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]methyl]benzoic acid Openeye Name: 3-[[[(2S)-2-amino-3-hydroxy-3-oxo-propyl]carbamoylamino]methyl]benzoic acid CAS Name: 3-[[[[[(2S)-2-amino-3-hydroxy-3-oxopropyl]amino]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[(2S)-2-amino-3-hydroxy-3-oxopropyl]carbamoylamino]methyl]benzoic acid Traditional Name: 3-[[[(2S)-2-amino-3-hydroxy-3-keto-propyl]carbamoylamino]methyl]benzoic acid Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)NCC(C(=O)O)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5/c13-9(11(18)19)6-15-12(20)14-5-7-2-1-3-8(4-7)10(16)17/h1-4,9H,5-6,13H2,(H,16,17)(H,18,19)(H2,14,15,20)/t9-/m0/s1