1-(2-acetamido-3-phenyl-propanoyl)-N-[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-acetamido-3-phenyl-propanoyl)-N-[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-acetamido-3-phenyl-propanoyl)-N-(1-formyl-4-guanidino-butyl)pyrrolidine-2-carboxamide CAS Name: 1-(2-acetamido-1-oxo-3-phenylpropyl)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-acetamido-3-phenylpropanoyl)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(2-acetamido-3-phenyl-propanoyl)-N-(1-formyl-4-guanidino-butyl)pyrrolidine-2-carboxamide Formula: C22H32N6O4 MolecularWeight: 444.52728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C=O

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C=O

InChI

InChI=1S/C22H32N6O4/c1-15(30)26-18(13-16-7-3-2-4-8-16)21(32)28-12-6-10-19(28)20(31)27-17(14-29)9-5-11-25-22(23)24/h2-4,7-8,14,17-19H,5-6,9-13H2,1H3,(H,26,30)(H,27,31)(H4,23,24,25)