1-[4-azanylbutyl-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]carbamoyl]pyrrolidine-2-carboxylic acid dihydrochloride

Systemtic Name: 1-[4-azanylbutyl-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]carbamoyl]pyrrolidine-2-carboxylic acid dihydrochloride Openeye Name: 1-[4-aminobutyl-[(1-carboxy-3-phenyl-propyl)amino]carbamoyl]pyrrolidine-2-carboxylic acid dihydrochloride CAS Name: 1-[[4-aminobutyl-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]amino]-oxomethyl]-2-pyrrolidinecarboxylic acid dihydrochloride IUPAC Name: 1-[4-aminobutyl-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]carbamoyl]pyrrolidine-2-carboxylic acid dihydrochloride Traditional Name: 1-[4-aminobutyl-[(1-carboxy-3-phenyl-propyl)amino]carbamoyl]proline dihydrochloride Formula: C20H32Cl2N4O5 MolecularWeight: 479.39788

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)N(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O.Cl.Cl

Isomeric SMILES

C1CC(N(C1)C(=O)N(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O.Cl.Cl

InChI

InChI=1S/C20H30N4O5.2ClH/c21-12-4-5-14-24(20(29)23-13-6-9-17(23)19(27)28)22-16(18(25)26)11-10-15-7-2-1-3-8-15;;/h1-3,7-8,16-17,22H,4-6,9-14,21H2,(H,25,26)(H,27,28);2*1H