N-[[1-(2-azanyl-3-phenyl-propanoyl)piperidin-4-yl]methyl]-6-[bis(azanyl)methylideneamino]hexanamide

Systemtic Name: N-[[1-(2-azanyl-3-phenyl-propanoyl)piperidin-4-yl]methyl]-6-[bis(azanyl)methylideneamino]hexanamide Openeye Name: N-[[1-(2-amino-3-phenyl-propanoyl)-4-piperidyl]methyl]-6-guanidino-hexanamide CAS Name: N-[[1-(2-amino-1-oxo-3-phenylpropyl)-4-piperidinyl]methyl]-6-(diaminomethylideneamino)hexanamide IUPAC Name: N-[[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-6-(diaminomethylideneamino)hexanamide Traditional Name: 6-guanidino-N-[(1-phenylalanyl-4-piperidyl)methyl]hexanamide Formula: C22H36N6O2 MolecularWeight: 416.56024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)CCCCCN=C(N)N)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

C1CN(CCC1CNC(=O)CCCCCN=C(N)N)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C22H36N6O2/c23-19(15-17-7-3-1-4-8-17)21(30)28-13-10-18(11-14-28)16-27-20(29)9-5-2-6-12-26-22(24)25/h1,3-4,7-8,18-19H,2,5-6,9-16,23H2,(H,27,29)(H4,24,25,26)