2-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-N-[(2S)-1-azanyl-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-[(2S)-1-azanyl-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-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-amino-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-[(1S)-2-amino-2-keto-1-methyl-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)N2CC3=CC=CC=C3CC2C(=O)N[C@@H](C)C(=O)N)N)C)O

InChI

InChI=1S/C24H30N4O4/c1-13-8-18(29)9-14(2)19(13)11-20(25)24(32)28-12-17-7-5-4-6-16(17)10-21(28)23(31)27-15(3)22(26)30/h4-9,15,20-21,29H,10-12,25H2,1-3H3,(H2,26,30)(H,27,31)/t15-,20?,21?/m0/s1