(2S)-4-azanyl-4-oxidanylidene-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate Openeye Name: (2S)-4-amino-4-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate CAS Name: (2S)-4-amino-4-oxo-2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]butanoate IUPAC Name: (2S)-4-amino-4-oxo-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate Traditional Name: (2S)-4-amino-4-keto-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butyrate Formula: C9H12N5O4- MolecularWeight: 254.22268

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C=N1)CCC(=O)NC(CC(=O)N)C(=O)[O-]

Isomeric SMILES

C1=NN(C=N1)CCC(=O)N[C@@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C9H13N5O4/c10-7(15)3-6(9(17)18)13-8(16)1-2-14-5-11-4-12-14/h4-6H,1-3H2,(H2,10,15)(H,13,16)(H,17,18)/p-1/t6-/m0/s1