1-adamantyl N-[(2S)-3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]carbamate

Systemtic Name: 1-adamantyl N-[(2S)-3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]carbamate Openeye Name: 1-adamantyl N-[(1S)-2-(benzylamino)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(3-carbamimidoylphenyl)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]carbamic acid 1-adamantyl ester IUPAC Name: 1-adamantyl N-[(2S)-1-(benzylamino)-3-(3-carbamimidoylphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(3-amidinobenzyl)-2-(benzylamino)-2-keto-ethyl]carbamic acid 1-adamantyl ester Formula: C28H34N4O3 MolecularWeight: 474.59456

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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)NCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)N[C@@H](CC4=CC=CC(=C4)C(=N)N)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H34N4O3/c29-25(30)23-8-4-7-19(12-23)13-24(26(33)31-17-18-5-2-1-3-6-18)32-27(34)35-28-14-20-9-21(15-28)11-22(10-20)16-28/h1-8,12,20-22,24H,9-11,13-17H2,(H3,29,30)(H,31,33)(H,32,34)/t20?,21?,22?,24-,28?/m0/s1