1-(2-azanylpropanoyl)-1-phenylmethoxycarbonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-azanylpropanoyl)-1-phenylmethoxycarbonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Openeye Name: 1-(2-aminopropanoyl)-1-benzyloxycarbonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid CAS Name: 1-(2-amino-1-oxopropyl)-1-phenylmethoxycarbonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid IUPAC Name: 1-(2-aminopropanoyl)-1-phenylmethoxycarbonyl-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Traditional Name: 1-alanyl-1-carbobenzoxy-3,4-dihydro-2H-isoquinoline-3-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1(C2=CC=CC=C2CC(N1)C(=O)O)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)C1(C2=CC=CC=C2CC(N1)C(=O)O)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C21H22N2O5/c1-13(22)18(24)21(20(27)28-12-14-7-3-2-4-8-14)16-10-6-5-9-15(16)11-17(23-21)19(25)26/h2-10,13,17,23H,11-12,22H2,1H3,(H,25,26)