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

Systemtic Name: 3-[[(2R)-4-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]propanoic acid Openeye Name: 3-[[(2R)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]propanoic acid CAS Name: 3-[[(2R)-4-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]propanoic acid IUPAC Name: 3-[[(2R)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]propanoic acid Traditional Name: 3-[[(2R)-2-(4-keto-1,2,3-benzotriazin-3-yl)-4-methyl-pentanoyl]amino]propionic acid Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC(=O)O)N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-10(2)9-13(15(23)17-8-7-14(21)22)20-16(24)11-5-3-4-6-12(11)18-19-20/h3-6,10,13H,7-9H2,1-2H3,(H,17,23)(H,21,22)/t13-/m1/s1