(2R)-3-methyl-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]butanoic acid Openeye Name: (2R)-3-methyl-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoic acid CAS Name: (2R)-3-methyl-2-[[oxo-[4-[(4-oxo-3-quinazolinyl)methyl]cyclohexyl]methyl]amino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]butanoic acid Traditional Name: (2R)-2-[[4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-3-methyl-butyric acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCC(CC1)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-13(2)18(21(27)28)23-19(25)15-9-7-14(8-10-15)11-24-12-22-17-6-4-3-5-16(17)20(24)26/h3-6,12-15,18H,7-11H2,1-2H3,(H,23,25)(H,27,28)/t14?,15?,18-/m1/s1