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

Systemtic Name: methyl (2R,3R)-2-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3R)-2-[[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3R)-2-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3R)-2-[[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: (2R,3R)-2-[[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-3-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(C(C)CC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-5-7-12-24-19(26)15-10-8-9-11-16(15)22-21(24)29-13-17(25)23-18(14(3)6-2)20(27)28-4/h8-11,14,18H,5-7,12-13H2,1-4H3,(H,23,25)/t14-,18-/m1/s1