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

Systemtic Name: 1-[azanyl(4-azanylbutyl)carbamoyl]-2-(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[amino(4-aminobutyl)carbamoyl]-2-(1-carboxy-3-phenyl-propyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[[amino(4-aminobutyl)amino]-oxomethyl]-2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[amino(4-aminobutyl)carbamoyl]-2-(1-hydroxy-1-oxo-4-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[amino(4-aminobutyl)carbamoyl]-2-(1-carboxy-3-phenyl-propyl)proline Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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