1-adamantyl N-[3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate

Systemtic Name: 1-adamantyl N-[3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate Openeye Name: 1-adamantyl N-[1-[(3-carbamimidoylphenyl)methyl]-2-oxo-2-(phenethylamino)ethyl]carbamate CAS Name: N-[3-(3-carbamimidoylphenyl)-1-oxo-1-(phenethylamino)propan-2-yl]carbamic acid 1-adamantyl ester IUPAC Name: 1-adamantyl N-[3-(3-carbamimidoylphenyl)-1-oxo-1-(phenethylamino)propan-2-yl]carbamate Traditional Name: N-[1-(3-amidinobenzyl)-2-keto-2-(phenethylamino)ethyl]carbamic acid 1-adamantyl ester Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)NC(CC4=CC=CC(=C4)C(=N)N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)NC(CC4=CC=CC(=C4)C(=N)N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H36N4O3/c30-26(31)24-8-4-7-20(14-24)15-25(27(34)32-10-9-19-5-2-1-3-6-19)33-28(35)36-29-16-21-11-22(17-29)13-23(12-21)18-29/h1-8,14,21-23,25H,9-13,15-18H2,(H3,30,31)(H,32,34)(H,33,35)