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

Systemtic Name: methyl (2R,3S)-2-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

InChI

InChI=1S/C20H25N3O4S/c1-4-12(2)17(19(26)27-3)22-16(24)11-28-20-21-15-8-6-5-7-14(15)18(25)23(20)13-9-10-13/h5-8,12-13,17H,4,9-11H2,1-3H3,(H,22,24)/t12-,17+/m0/s1