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

Systemtic Name: 4-[[(2R)-4-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanoate Openeye Name: 4-[[(2R)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanoate CAS Name: 4-[[(2R)-4-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]butanoate IUPAC Name: 4-[[(2R)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]butanoate Traditional Name: 4-[[(2R)-2-(4-keto-1,2,3-benzotriazin-3-yl)-4-methyl-pentanoyl]amino]butyrate Formula: C17H21N4O4- MolecularWeight: 345.37304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-11(2)10-14(16(24)18-9-5-8-15(22)23)21-17(25)12-6-3-4-7-13(12)19-20-21/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,18,24)(H,22,23)/p-1/t14-/m1/s1