methyl 3-[4-oxidanylidene-2-[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl]sulfanyl-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl]sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl]thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl]sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NC2=CC=CC=C2C(=O)N1CCC(=O)OC

InChI

InChI=1S/C19H24N4O5S/c1-11(2)20-18(27)22-16(25)12(3)29-19-21-14-8-6-5-7-13(14)17(26)23(19)10-9-15(24)28-4/h5-8,11-12H,9-10H2,1-4H3,(H2,20,22,25,27)/t12-/m0/s1