methyl (3S)-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O5/c1-14(2)11-17(23-21(27)29-22(3,4)5)19(25)24-13-16-10-8-7-9-15(16)12-18(24)20(26)28-6/h7-10,14,17-18H,11-13H2,1-6H3,(H,23,27)/t17-,18-/m0/s1