N-[2-(azetidin-1-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-N-(phenylmethyl)pyrrolidine-2-carboxamide dihydrochloride

Systemtic Name: N-[2-(azetidin-1-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]-N-(phenylmethyl)pyrrolidine-2-carboxamide dihydrochloride Openeye Name: N-[1-(azetidin-1-yl)-1-formyl-4-guanidino-butyl]-N-benzyl-pyrrolidine-2-carboxamide dihydrochloride CAS Name: N-[2-(1-azetidinyl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(phenylmethyl)-2-pyrrolidinecarboxamide dihydrochloride IUPAC Name: N-[2-(azetidin-1-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-benzylpyrrolidine-2-carboxamide dihydrochloride Traditional Name: N-[1-(azetidin-1-yl)-1-formyl-4-guanidino-butyl]-N-benzyl-pyrrolidine-2-carboxamide dihydrochloride Formula: C21H34Cl2N6O2 MolecularWeight: 473.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(CC2=CC=CC=C2)C(CCCN=C(N)N)(C=O)N3CCC3.Cl.Cl

Isomeric SMILES

C1CC(NC1)C(=O)N(CC2=CC=CC=C2)C(CCCN=C(N)N)(C=O)N3CCC3.Cl.Cl

InChI

InChI=1S/C21H32N6O2.2ClH/c22-20(23)25-12-5-10-21(16-28,26-13-6-14-26)27(15-17-7-2-1-3-8-17)19(29)18-9-4-11-24-18;;/h1-3,7-8,16,18,24H,4-6,9-15H2,(H4,22,23,25);2*1H