N-(1-adamantyl)-2-[azanyl(phenyl)methyl]-3-(3-carbamimidoylphenyl)-3-oxidanylidene-propanamide

Systemtic Name: N-(1-adamantyl)-2-[azanyl(phenyl)methyl]-3-(3-carbamimidoylphenyl)-3-oxidanylidene-propanamide Openeye Name: N-(1-adamantyl)-2-[amino(phenyl)methyl]-3-(3-carbamimidoylphenyl)-3-oxo-propanamide CAS Name: N-(1-adamantyl)-2-[amino(phenyl)methyl]-3-(3-carbamimidoylphenyl)-3-oxopropanamide IUPAC Name: N-(1-adamantyl)-2-[amino(phenyl)methyl]-3-(3-carbamimidoylphenyl)-3-oxopropanamide Traditional Name: N-(1-adamantyl)-2-(3-amidinobenzoyl)-3-amino-3-phenyl-propionamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C(C(C4=CC=CC=C4)N)C(=O)C5=CC(=CC=C5)C(=N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C(C(C4=CC=CC=C4)N)C(=O)C5=CC(=CC=C5)C(=N)N

InChI

InChI=1S/C27H32N4O2/c28-23(19-5-2-1-3-6-19)22(24(32)20-7-4-8-21(12-20)25(29)30)26(33)31-27-13-16-9-17(14-27)11-18(10-16)15-27/h1-8,12,16-18,22-23H,9-11,13-15,28H2,(H3,29,30)(H,31,33)