[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-[[[[(1S,2S)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]ethyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H26N4O5/c1-13-6-2-4-8-15(13)23-21(29)25-18(26)12-30-19(27)11-10-17-22-16-9-5-3-7-14(16)20(28)24-17/h3,5,7,9,13,15H,2,4,6,8,10-12H2,1H3,(H,22,24,28)(H2,23,25,26,29)/t13-,15-/m0/s1