2-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OC(C)(C)C)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CC(CNC(=O)OC(C)(C)C)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C19H26N2O5/c1-12(10-20-18(25)26-19(2,3)4)16(22)21-11-14-8-6-5-7-13(14)9-15(21)17(23)24/h5-8,12,15H,9-11H2,1-4H3,(H,20,25)(H,23,24)