(2S)-4-methyl-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[oxo-[4-[(4-oxo-3-quinazolinyl)methyl]cyclohexyl]methyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]pentanoic acid Traditional Name: (2S)-2-[[4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-4-methyl-valeric acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-14(2)11-19(22(28)29)24-20(26)16-9-7-15(8-10-16)12-25-13-23-18-6-4-3-5-17(18)21(25)27/h3-6,13-16,19H,7-12H2,1-2H3,(H,24,26)(H,28,29)/t15?,16?,19-/m0/s1