(3S)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-N-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)NC(C)(C)C)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC(C)(C)C)N)C)O

InChI

InChI=1S/C25H33N3O3/c1-15-10-19(29)11-16(2)20(15)13-21(26)24(31)28-14-18-9-7-6-8-17(18)12-22(28)23(30)27-25(3,4)5/h6-11,21-22,29H,12-14,26H2,1-5H3,(H,27,30)/t21-,22-/m0/s1