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

Systemtic Name: (2S,3R)-3-methyl-2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]pentanoate Openeye Name: (2S,3R)-3-methyl-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]pentanoate IUPAC Name: (2S,3R)-3-methyl-2-[4-(4-oxoquinazolin-3-yl)butanoylamino]pentanoate Traditional Name: (2S,3R)-2-[4-(4-ketoquinazolin-3-yl)butanoylamino]-3-methyl-valerate Formula: C18H22N3O4- MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CCCN1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)CCCN1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C18H23N3O4/c1-3-12(2)16(18(24)25)20-15(22)9-6-10-21-11-19-14-8-5-4-7-13(14)17(21)23/h4-5,7-8,11-12,16H,3,6,9-10H2,1-2H3,(H,20,22)(H,24,25)/p-1/t12-,16+/m1/s1