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

Systemtic Name: 2-[2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(1-hydroxy-1-oxopropan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5/c1-9(17-10(2)15(20)21)14(19)18-8-12-6-4-3-5-11(12)7-13(18)16(22)23/h3-6,9-10,13,17H,7-8H2,1-2H3,(H,20,21)(H,22,23)