(2S)-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]-3-phenyl-propionate Formula: C19H17N4O4- MolecularWeight: 365.36268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H18N4O4/c24-17(20-16(19(26)27)12-13-6-2-1-3-7-13)10-11-23-18(25)14-8-4-5-9-15(14)21-22-23/h1-9,16H,10-12H2,(H,20,24)(H,26,27)/p-1/t16-/m0/s1