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

Systemtic Name: 3-[[(2S,3R)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]propanoate Openeye Name: 3-[[(2S,3R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]propanoate CAS Name: 3-[[(2S,3R)-3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]propanoate IUPAC Name: 3-[[(2S,3R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]propanoate Traditional Name: 3-[[(2S,3R)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-pentanoyl]amino]propionate Formula: C16H19N4O4- MolecularWeight: 331.34646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4/c1-3-10(2)14(15(23)17-9-8-13(21)22)20-16(24)11-6-4-5-7-12(11)18-19-20/h4-7,10,14H,3,8-9H2,1-2H3,(H,17,23)(H,21,22)/p-1/t10-,14+/m1/s1