4-[[[(2-azanyl-3-phenyl-propanoyl)amino]-(azepan-1-ylcarbonyl)amino]methyl]benzenecarboximidamide dihydrochloride

Systemtic Name: 4-[[[(2-azanyl-3-phenyl-propanoyl)amino]-(azepan-1-ylcarbonyl)amino]methyl]benzenecarboximidamide dihydrochloride Openeye Name: 4-[[[(2-amino-3-phenyl-propanoyl)amino]-(azepane-1-carbonyl)amino]methyl]benzamidine dihydrochloride CAS Name: 4-[[[(2-amino-1-oxo-3-phenylpropyl)amino]-[1-azepanyl(oxo)methyl]amino]methyl]benzenecarboximidamide dihydrochloride IUPAC Name: 4-[[[(2-amino-3-phenylpropanoyl)amino]-(azepane-1-carbonyl)amino]methyl]benzenecarboximidamide dihydrochloride Traditional Name: 4-[[azepane-1-carbonyl-(phenylalanylamino)amino]methyl]benzamidine dihydrochloride Formula: C24H34Cl2N6O2 MolecularWeight: 509.47176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=N)N)NC(=O)C(CC3=CC=CC=C3)N.Cl.Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=N)N)NC(=O)C(CC3=CC=CC=C3)N.Cl.Cl

InChI

InChI=1S/C24H32N6O2.2ClH/c25-21(16-18-8-4-3-5-9-18)23(31)28-30(24(32)29-14-6-1-2-7-15-29)17-19-10-12-20(13-11-19)22(26)27;;/h3-5,8-13,21H,1-2,6-7,14-17,25H2,(H3,26,27)(H,28,31);2*1H