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

Systemtic Name: 2-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-(2-azanyl-2-oxidanylidene-ethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-(2-amino-2-oxo-ethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-N-(2-amino-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-(2-amino-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-(2-amino-2-keto-ethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-13-7-17(28)8-14(2)18(13)10-19(24)23(31)27-12-16-6-4-3-5-15(16)9-20(27)22(30)26-11-21(25)29/h3-8,19-20,28H,9-12,24H2,1-2H3,(H2,25,29)(H,26,30)