methyl 3-[2-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C25H29N3O4S/c1-17(2)15-21(18-9-5-4-6-10-18)26-22(29)16-33-25-27-20-12-8-7-11-19(20)24(31)28(25)14-13-23(30)32-3/h4-12,17,21H,13-16H2,1-3H3,(H,26,29)/t21-/m1/s1