4-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanoate

Systemtic Name: 4-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butanoate CAS Name: 4-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]butyrate Formula: C20H19N4O4- MolecularWeight: 379.38926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCC(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCCCC(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H20N4O4/c25-18(26)11-6-12-21-19(27)17(13-14-7-2-1-3-8-14)24-20(28)15-9-4-5-10-16(15)22-23-24/h1-5,7-10,17H,6,11-13H2,(H,21,27)(H,25,26)/p-1/t17-/m0/s1