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

Systemtic Name: methyl (2R)-2-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C21H29N3O4S/c1-5-6-11-24-19(26)15-9-7-8-10-16(15)23-21(24)29-13-18(25)22-17(12-14(2)3)20(27)28-4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,22,25)/t17-/m1/s1