cyclohexyl (3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: cyclohexyl (3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: cyclohexyl (3S)-3-(tert-butoxycarbonylamino)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoate CAS Name: (3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (3S)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyric acid cyclohexyl ester Formula: C24H34N2O5 MolecularWeight: 430.53716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OC1CCCCC1)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C24H34N2O5/c1-24(2,3)31-23(29)25-20(15-21(27)30-19-11-5-4-6-12-19)22(28)26-14-13-17-9-7-8-10-18(17)16-26/h7-10,19-20H,4-6,11-16H2,1-3H3,(H,25,29)/t20-/m0/s1