(2S)-2-[(4-cyanophenyl)carbamoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[(4-cyanophenyl)carbamoylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[(4-cyanophenyl)carbamoylamino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(4-cyanoanilino)-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[(4-cyanophenyl)carbamoylamino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[(4-cyanophenyl)carbamoylamino]-3-hydroxy-propionic acid Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)NC(CO)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C11H11N3O4/c12-5-7-1-3-8(4-2-7)13-11(18)14-9(6-15)10(16)17/h1-4,9,15H,6H2,(H,16,17)(H2,13,14,18)/t9-/m0/s1