(2S,3S)-3-methyl-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]-3-methyl-valerate Formula: C16H18N3O4- MolecularWeight: 316.33182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)CN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C16H19N3O4/c1-3-10(2)14(16(22)23)18-13(20)8-19-9-17-12-7-5-4-6-11(12)15(19)21/h4-7,9-10,14H,3,8H2,1-2H3,(H,18,20)(H,22,23)/p-1/t10-,14-/m0/s1