methyl (2R)-4-methyl-2-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]pentanoate Openeye Name: methyl (2R)-4-methyl-2-[[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]pentanoate CAS Name: (2R)-4-methyl-2-[[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R)-4-methyl-2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]pentanoate Traditional Name: (2R)-2-[[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C20H27N3O4S/c1-5-10-23-18(25)14-8-6-7-9-15(14)22-20(23)28-12-17(24)21-16(11-13(2)3)19(26)27-4/h6-9,13,16H,5,10-12H2,1-4H3,(H,21,24)/t16-/m1/s1