tert-butyl 4-[2-[(2R)-2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethanoyl]oxyethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(2R)-2-[(3-carbamimidoylphenyl)carbonylamino]-2-phenyl-ethanoyl]oxyethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(2R)-2-[(3-carbamimidoylbenzoyl)amino]-2-phenyl-acetyl]oxyethyl]piperidine-1-carboxylate CAS Name: 4-[2-[(2R)-2-[[(3-carbamimidoylphenyl)-oxomethyl]amino]-1-oxo-2-phenylethoxy]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(2R)-2-[(3-carbamimidoylbenzoyl)amino]-2-phenylacetyl]oxyethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[(2R)-2-[(3-amidinobenzoyl)amino]-2-phenyl-acetyl]oxyethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H36N4O5 MolecularWeight: 508.60924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCOC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCOC(=O)[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C28H36N4O5/c1-28(2,3)37-27(35)32-15-12-19(13-16-32)14-17-36-26(34)23(20-8-5-4-6-9-20)31-25(33)22-11-7-10-21(18-22)24(29)30/h4-11,18-19,23H,12-17H2,1-3H3,(H3,29,30)(H,31,33)/t23-/m1/s1