methyl (2S,3S)-3-methyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)carbonylamino]pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)carbonylamino]pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-[(4-oxo-1H-quinazoline-2-carbonyl)amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo-(4-oxo-1H-quinazolin-2-yl)methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-[(4-oxo-1H-quinazoline-2-carbonyl)amino]pentanoate Traditional Name: (2S,3S)-2-[(4-keto-1H-quinazoline-2-carbonyl)amino]-3-methyl-valeric acid methyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C16H19N3O4/c1-4-9(2)12(16(22)23-3)18-15(21)13-17-11-8-6-5-7-10(11)14(20)19-13/h5-9,12H,4H2,1-3H3,(H,18,21)(H,17,19,20)/t9-,12-/m0/s1