(2S)-4-methylsulfanyl-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[4-[(4-oxo-3-quinazolinyl)methyl]cyclohexyl]methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoate Traditional Name: (2S)-2-[[4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-4-(methylthio)butyrate Formula: C21H26N3O4S- MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1CCC(CC1)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1CCC(CC1)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H27N3O4S/c1-29-11-10-18(21(27)28)23-19(25)15-8-6-14(7-9-15)12-24-13-22-17-5-3-2-4-16(17)20(24)26/h2-5,13-15,18H,6-12H2,1H3,(H,23,25)(H,27,28)/p-1/t14?,15?,18-/m0/s1