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

Systemtic Name: 2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide Openeye Name: 2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide CAS Name: 2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide IUPAC Name: 2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide Traditional Name: 2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CCC3=CC=CC=C3C2C(=O)NCCCC4=CC=CC=C4)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)N2CCC3=CC=CC=C3C2C(=O)NCCCC4=CC=CC=C4)N)C)O

InChI

InChI=1S/C30H35N3O3/c1-20-17-24(34)18-21(2)26(20)19-27(31)30(36)33-16-14-23-12-6-7-13-25(23)28(33)29(35)32-15-8-11-22-9-4-3-5-10-22/h3-7,9-10,12-13,17-18,27-28,34H,8,11,14-16,19,31H2,1-2H3,(H,32,35)/t27-,28?/m0/s1