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

Systemtic Name: methyl (3S)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[(2S)-2-(tert-butoxycarbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(2S)-2-(tert-butoxycarbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-12(20-18(24)26-19(2,3)4)16(22)21-11-14-9-7-6-8-13(14)10-15(21)17(23)25-5/h6-9,12,15H,10-11H2,1-5H3,(H,20,24)/t12-,15-/m0/s1