2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]-N-naphthalen-2-yl-pentanamide hydrochloride

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]-N-naphthalen-2-yl-pentanamide hydrochloride Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-5-guanidino-N-(2-naphthyl)pentanamide hydrochloride CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-5-(diaminomethylideneamino)-N-(2-naphthalenyl)pentanamide hydrochloride IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide hydrochloride Traditional Name: 5-guanidino-N-(2-naphthyl)-2-(phenylalanylamino)valeramide hydrochloride Formula: C25H31ClN6O2 MolecularWeight: 483.00564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2)N.Cl

InChI

InChI=1S/C25H30N6O2.ClH/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20;/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29);1H