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

Systemtic Name: 1-adamantyl N-[(2S)-3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]carbamate hydrochloride Openeye Name: 1-adamantyl N-[(1S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]carbamate hydrochloride CAS Name: N-[(2S)-3-(3-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]carbamic acid 1-adamantyl ester hydrochloride IUPAC Name: 1-adamantyl N-[(2S)-3-(3-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate hydrochloride Traditional Name: N-[(1S)-1-(3-amidinobenzyl)-2-keto-2-piperidino-ethyl]carbamic acid 1-adamantyl ester hydrochloride Formula: C26H37ClN4O3 MolecularWeight: 489.04998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NC(=O)OC34CC5CC(C3)CC(C5)C4.Cl

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](CC2=CC=CC(=C2)C(=N)N)NC(=O)OC34CC5CC(C3)CC(C5)C4.Cl

InChI

InChI=1S/C26H36N4O3.ClH/c27-23(28)21-6-4-5-17(12-21)13-22(24(31)30-7-2-1-3-8-30)29-25(32)33-26-14-18-9-19(15-26)11-20(10-18)16-26;/h4-6,12,18-20,22H,1-3,7-11,13-16H2,(H3,27,28)(H,29,32);1H/t18?,19?,20?,22-,26?;/m0./s1