[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)OC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C24H27N3O4S/c1-16(2)13-14-27-23(30)19-11-7-8-12-20(19)26-24(27)32-15-21(28)31-17(3)22(29)25-18-9-5-4-6-10-18/h4-12,16-17H,13-15H2,1-3H3,(H,25,29)/t17-/m1/s1