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

Systemtic Name: 1-[4-azanylbutyl-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]carbamoyl]pyrrolidine-2-carboxylic acid dihydrochloride Openeye Name: 1-[4-aminobutyl-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]carbamoyl]pyrrolidine-2-carboxylic acid dihydrochloride CAS Name: 1-[[4-aminobutyl-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]amino]-oxomethyl]-2-pyrrolidinecarboxylic acid dihydrochloride IUPAC Name: 1-[4-aminobutyl-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]carbamoyl]pyrrolidine-2-carboxylic acid dihydrochloride Traditional Name: 1-[4-aminobutyl-[(1-carbethoxy-3-phenyl-propyl)amino]carbamoyl]proline dihydrochloride Formula: C22H36Cl2N4O5 MolecularWeight: 507.45104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NN(CCCCN)C(=O)N2CCCC2C(=O)O.Cl.Cl

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NN(CCCCN)C(=O)N2CCCC2C(=O)O.Cl.Cl

InChI

InChI=1S/C22H34N4O5.2ClH/c1-2-31-21(29)18(13-12-17-9-4-3-5-10-17)24-26(16-7-6-14-23)22(30)25-15-8-11-19(25)20(27)28;;/h3-5,9-10,18-19,24H,2,6-8,11-16,23H2,1H3,(H,27,28);2*1H