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

Systemtic Name: 4-[[(2S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoate Openeye Name: 4-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoate CAS Name: 4-[[(2S)-3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]butanoate IUPAC Name: 4-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butanoyl]amino]butyrate Formula: C16H19N4O4- MolecularWeight: 331.34646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCC(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCCC(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C16H20N4O4/c1-10(2)14(15(23)17-9-5-8-13(21)22)20-16(24)11-6-3-4-7-12(11)18-19-20/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,17,23)(H,21,22)/p-1/t14-/m0/s1