tert-butyl 2-[1-[(2R)-2-[(4-carbamimidoylphenyl)carbonylamino]-3-cyclohexyl-propanoyl]piperidin-4-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[1-[(2R)-2-[(4-carbamimidoylphenyl)carbonylamino]-3-cyclohexyl-propanoyl]piperidin-4-yl]oxyethanoate Openeye Name: tert-butyl 2-[[1-[(2R)-2-[(4-carbamimidoylbenzoyl)amino]-3-cyclohexyl-propanoyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[(2R)-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-cyclohexyl-1-oxopropyl]-4-piperidinyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[(2R)-2-[(4-carbamimidoylbenzoyl)amino]-3-cyclohexylpropanoyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[(2R)-2-[(4-amidinobenzoyl)amino]-3-cyclohexyl-propanoyl]-4-piperidyl]oxy]acetic acid tert-butyl ester Formula: C28H42N4O5 MolecularWeight: 514.65688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)C(CC2CCCCC2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)[C@@H](CC2CCCCC2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H42N4O5/c1-28(2,3)37-24(33)18-36-22-13-15-32(16-14-22)27(35)23(17-19-7-5-4-6-8-19)31-26(34)21-11-9-20(10-12-21)25(29)30/h9-12,19,22-23H,4-8,13-18H2,1-3H3,(H3,29,30)(H,31,34)/t23-/m1/s1