(2S,3S)-3-methyl-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[[4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexyl]carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo-[4-[(4-oxo-3-quinazolinyl)methyl]cyclohexyl]methyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[4-[(4-ketoquinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-3-methyl-valerate Formula: C22H28N3O4- MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-3-14(2)19(22(28)29)24-20(26)16-10-8-15(9-11-16)12-25-13-23-18-7-5-4-6-17(18)21(25)27/h4-7,13-16,19H,3,8-12H2,1-2H3,(H,24,26)(H,28,29)/p-1/t14-,15?,16?,19-/m0/s1