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

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-4-phenylmethoxycarbonyl-isoquinoline-3-carboxylic acid Openeye Name: 1-(2-amino-3-methyl-butanoyl)-4-benzyloxycarbonyl-isoquinoline-3-carboxylic acid CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-4-phenylmethoxycarbonyl-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-amino-3-methylbutanoyl)-4-phenylmethoxycarbonylisoquinoline-3-carboxylic acid Traditional Name: 1-(2-amino-3-methyl-butanoyl)-4-carbobenzoxy-isoquinoline-3-carboxylic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C23H22N2O5/c1-13(2)18(24)21(26)19-16-11-7-6-10-15(16)17(20(25-19)22(27)28)23(29)30-12-14-8-4-3-5-9-14/h3-11,13,18H,12,24H2,1-2H3,(H,27,28)