N-[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-3-yl]-6-[bis(azanyl)methylideneamino]hexanamide

Systemtic Name: N-[1-(2-azanyl-3-phenyl-propanoyl)pyrrolidin-3-yl]-6-[bis(azanyl)methylideneamino]hexanamide Openeye Name: N-[1-(2-amino-3-phenyl-propanoyl)pyrrolidin-3-yl]-6-guanidino-hexanamide CAS Name: N-[1-(2-amino-1-oxo-3-phenylpropyl)-3-pyrrolidinyl]-6-(diaminomethylideneamino)hexanamide IUPAC Name: N-[1-(2-amino-3-phenylpropanoyl)pyrrolidin-3-yl]-6-(diaminomethylideneamino)hexanamide Traditional Name: 6-guanidino-N-(1-phenylalanylpyrrolidin-3-yl)hexanamide Formula: C20H32N6O2 MolecularWeight: 388.50708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CCCCCN=C(N)N)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

C1CN(CC1NC(=O)CCCCCN=C(N)N)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C20H32N6O2/c21-17(13-15-7-3-1-4-8-15)19(28)26-12-10-16(14-26)25-18(27)9-5-2-6-11-24-20(22)23/h1,3-4,7-8,16-17H,2,5-6,9-14,21H2,(H,25,27)(H4,22,23,24)