(3S)-3-methyl-5-oxidanylidene-5-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino]pentanoate

Systemtic Name: (3S)-3-methyl-5-oxidanylidene-5-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino]pentanoate Openeye Name: (3S)-3-methyl-5-oxo-5-[4-(1,2,4-triazol-1-ylmethyl)anilino]pentanoate CAS Name: (3S)-3-methyl-5-oxo-5-[4-(1,2,4-triazol-1-ylmethyl)anilino]pentanoate IUPAC Name: (3S)-3-methyl-5-oxo-5-[4-(1,2,4-triazol-1-ylmethyl)anilino]pentanoate Traditional Name: (3S)-5-keto-3-methyl-5-[4-(1,2,4-triazol-1-ylmethyl)anilino]valerate Formula: C15H17N4O3- MolecularWeight: 301.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)CN2C=NC=N2)CC(=O)[O-]

Isomeric SMILES

C[C@@H](CC(=O)NC1=CC=C(C=C1)CN2C=NC=N2)CC(=O)[O-]

InChI

InChI=1S/C15H18N4O3/c1-11(7-15(21)22)6-14(20)18-13-4-2-12(3-5-13)8-19-10-16-9-17-19/h2-5,9-11H,6-8H2,1H3,(H,18,20)(H,21,22)/p-1/t11-/m0/s1