(phenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)-3-(2-isocyanato-4-methoxy-butanoyl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-azanyl-3-methyl-butanoyl)-3-(2-isocyanato-4-methoxy-butanoyl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 1-(2-amino-3-methyl-butanoyl)-3-(2-isocyanato-4-methoxy-butanoyl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-3-(2-isocyanato-4-methoxy-1-oxobutoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-amino-3-methylbutanoyl)-3-(2-isocyanato-4-methoxybutanoyl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-amino-3-methyl-butanoyl)-3-(2-isocyanato-4-methoxy-butanoyl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C28H33N3O7 MolecularWeight: 523.57752

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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)OC(=O)C(CCOC)N=C=O)N

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O7/c1-18(2)24(29)26(33)25-21-12-8-7-11-20(21)15-23(38-27(34)22(30-17-32)13-14-36-3)31(25)28(35)37-16-19-9-5-4-6-10-19/h4-12,18,22-25H,13-16,29H2,1-3H3