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

Systemtic Name: 2-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-N-[2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-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-1-methylol-ethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O5/c1-13-7-17(30)8-14(2)18(13)10-19(25)24(33)28-11-16-6-4-3-5-15(16)9-21(28)23(32)27-20(12-29)22(26)31/h3-8,19-21,29-30H,9-12,25H2,1-2H3,(H2,26,31)(H,27,32)