2-[(2-azanyl-3-phenyl-propanoyl)-piperidin-1-yl-amino]-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-piperidin-1-yl-amino]-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(1-piperidyl)amino]-5-guanidino-N-(4-nitrophenyl)pentanamide CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-(1-piperidinyl)amino]-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-piperidin-1-ylamino]-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide Traditional Name: 5-guanidino-N-(4-nitrophenyl)-2-[phenylalanyl(piperidino)amino]valeramide Formula: C26H36N8O4 MolecularWeight: 524.61524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N(C(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1CCN(CC1)N(C(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C26H36N8O4/c27-22(18-19-8-3-1-4-9-19)25(36)33(32-16-5-2-6-17-32)23(10-7-15-30-26(28)29)24(35)31-20-11-13-21(14-12-20)34(37)38/h1,3-4,8-9,11-14,22-23H,2,5-7,10,15-18,27H2,(H,31,35)(H4,28,29,30)