methyl (2S,3S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidine-3-carbonyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[1-(4,7-dimethyl-2-quinazolinyl)-3-piperidinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidine-3-carbonyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[1-(4,7-dimethylquinazolin-2-yl)nipecotoyl]amino]-3-methyl-valeric acid methyl ester Formula: C23H32N4O3 MolecularWeight: 412.52518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)C1CCCN(C1)C2=NC3=C(C=CC(=C3)C)C(=N2)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)C1CCCN(C1)C2=NC3=C(C=CC(=C3)C)C(=N2)C

InChI

InChI=1S/C23H32N4O3/c1-6-15(3)20(22(29)30-5)26-21(28)17-8-7-11-27(13-17)23-24-16(4)18-10-9-14(2)12-19(18)25-23/h9-10,12,15,17,20H,6-8,11,13H2,1-5H3,(H,26,28)/t15-,17?,20-/m0/s1