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

Systemtic Name: 2-[methyl-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[[(1-carboxy-3-phenyl-propyl)amino]-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[[[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-methylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[[(1-carboxy-3-phenyl-propyl)amino]-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H25N3O5/c1-24(23-18(20(26)27)12-11-15-7-3-2-4-8-15)22(30)25-14-17-10-6-5-9-16(17)13-19(25)21(28)29/h2-10,18-19,23H,11-14H2,1H3,(H,26,27)(H,28,29)