methyl (2R,3S)-3-methyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]pentanoate Traditional Name: (2R,3S)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C16H20N4O4/c1-4-10(2)14(16(23)24-3)17-13(21)9-20-15(22)11-7-5-6-8-12(11)18-19-20/h5-8,10,14H,4,9H2,1-3H3,(H,17,21)/t10-,14+/m0/s1