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

Systemtic Name: methyl (2S,3R)-3-methyl-2-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]pentanoate Openeye Name: methyl (2S,3R)-3-methyl-2-[[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]pentanoate CAS Name: (2S,3R)-3-methyl-2-[[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-methyl-2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]pentanoate Traditional Name: (2S,3R)-2-[[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]-3-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(C(C)CC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-5-11-23-18(25)14-9-7-8-10-15(14)21-20(23)28-12-16(24)22-17(13(3)6-2)19(26)27-4/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,22,24)/t13-,17+/m1/s1