N-[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-(4-phenylsulfanylpyrrolidin-2-yl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-1-(4-phenylsulfanylpyrrolidin-2-yl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1-formyl-4-guanidino-butyl)-1-(4-phenylsulfanylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[oxo-[4-(phenylthio)-2-pyrrolidinyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-(4-phenylsulfanylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(1-formyl-4-guanidino-butyl)-1-[4-(phenylthio)prolyl]pyrrolidine-2-carboxamide Formula: C22H32N6O3S MolecularWeight: 460.59288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2)SC3=CC=CC=C3)C(=O)NC(CCCN=C(N)N)C=O

Isomeric SMILES

C1CC(N(C1)C(=O)C2CC(CN2)SC3=CC=CC=C3)C(=O)NC(CCCN=C(N)N)C=O

InChI

InChI=1S/C22H32N6O3S/c23-22(24)25-10-4-6-15(14-29)27-20(30)19-9-5-11-28(19)21(31)18-12-17(13-26-18)32-16-7-2-1-3-8-16/h1-3,7-8,14-15,17-19,26H,4-6,9-13H2,(H,27,30)(H4,23,24,25)