[2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-[[(1R)-1,5-dimethylhexyl]amino]-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-[[(1R)-1,5-dimethylhexyl]amino]-2-keto-ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

C[C@H](CCCC(C)C)NC(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C21H29N3O4/c1-14(2)7-6-8-15(3)22-19(25)13-28-20(26)12-11-18-23-17-10-5-4-9-16(17)21(27)24-18/h4-5,9-10,14-15H,6-8,11-13H2,1-3H3,(H,22,25)(H,23,24,27)/t15-/m1/s1