1-(2-azanyl-3-methyl-butanoyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 1-(2-amino-3-methyl-butanoyl)-2-benzyloxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 1-(2-amino-3-methylbutanoyl)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 1-(2-amino-3-methyl-butanoyl)-2-carbobenzoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OCC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)C1C2=CC=CC=C2CC(N1C(=O)OCC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C23H26N2O5/c1-14(2)19(24)21(26)20-17-11-7-6-10-16(17)12-18(22(27)28)25(20)23(29)30-13-15-8-4-3-5-9-15/h3-11,14,18-20H,12-13,24H2,1-2H3,(H,27,28)