2-(1-adamantylamino)-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-5-[bis(azanyl)methylideneamino]pentanamide

Systemtic Name: 2-(1-adamantylamino)-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-5-[bis(azanyl)methylideneamino]pentanamide Openeye Name: 2-(1-adamantylamino)-N-(2-amino-1-benzyl-2-oxo-ethyl)-5-guanidino-pentanamide CAS Name: 2-(1-adamantylamino)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(diaminomethylideneamino)pentanamide IUPAC Name: 2-(1-adamantylamino)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(diaminomethylideneamino)pentanamide Traditional Name: 2-(1-adamantylamino)-N-(2-amino-1-benzyl-2-keto-ethyl)-5-guanidino-valeramide Formula: C25H38N6O2 MolecularWeight: 454.60822

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(CCCN=C(N)N)C(=O)NC(CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(CCCN=C(N)N)C(=O)NC(CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H38N6O2/c26-22(32)21(12-16-5-2-1-3-6-16)30-23(33)20(7-4-8-29-24(27)28)31-25-13-17-9-18(14-25)11-19(10-17)15-25/h1-3,5-6,17-21,31H,4,7-15H2,(H2,26,32)(H,30,33)(H4,27,28,29)