2-[2-methyl-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-methyl-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[3-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[3-[(1-hydroxy-1-oxopropan-2-yl)amino]-2-methyl-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[3-[(1-hydroxy-1-oxopropan-2-yl)amino]-2-methylpropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[3-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-10(8-18-11(2)16(21)22)15(20)19-9-13-6-4-3-5-12(13)7-14(19)17(23)24/h3-6,10-11,14,18H,7-9H2,1-2H3,(H,21,22)(H,23,24)