4-[[[(2S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[(2S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(2S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[(2S)-3-methyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[(2S)-2-(4-ketoquinazolin-3-yl)-3-methyl-butanoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1CCC(CC1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1CCC(CC1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H27N3O4/c1-13(2)18(24-12-23-17-6-4-3-5-16(17)20(24)26)19(25)22-11-14-7-9-15(10-8-14)21(27)28/h3-6,12-15,18H,7-11H2,1-2H3,(H,22,25)(H,27,28)/t14?,15?,18-/m0/s1