(3S)-2-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-7-methoxy-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-7-methoxy-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-7-methoxy-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-7-methoxy-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-7-methoxy-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-7-methoxy-6-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)N2CC3=C(CC2C(=O)O)C=C(C(=C3)OC)C4=CC=CC=C4)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)N2CC3=C(C[C@H]2C(=O)O)C=C(C(=C3)OC)C4=CC=CC=C4)N)C)O

InChI

InChI=1S/C28H30N2O5/c1-16-9-21(31)10-17(2)22(16)14-24(29)27(32)30-15-20-13-26(35-3)23(18-7-5-4-6-8-18)11-19(20)12-25(30)28(33)34/h4-11,13,24-25,31H,12,14-15,29H2,1-3H3,(H,33,34)/t24?,25-/m0/s1