methyl (3S)-2-[(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-[(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[(2S)-2-(benzyloxycarbonylamino)-3,3-dimethyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(2S)-3,3-dimethyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(2S)-2-(benzyloxycarbonylamino)-3,3-dimethyl-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC2=CC=CC=C2CC1C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-25(2,3)21(26-24(30)32-16-17-10-6-5-7-11-17)22(28)27-15-19-13-9-8-12-18(19)14-20(27)23(29)31-4/h5-13,20-21H,14-16H2,1-4H3,(H,26,30)/t20-,21+/m0/s1