[2-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl] hexanoate

Systemtic Name: [2-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl] hexanoate Openeye Name: [2-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxo-ethyl] hexanoate CAS Name: hexanoic acid [2-[2-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-cyclohexyl-2-oxoethyl] ester IUPAC Name: [2-[2-[(4-carbamimidoylphenyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl] hexanoate Traditional Name: hexanoic acid [2-[2-[(4-amidinobenzyl)carbamoyl]pyrrolidino]-1-cyclohexyl-2-keto-ethyl] ester Formula: C27H40N4O4 MolecularWeight: 484.6309

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C1CCCCC1)C(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCCCC(=O)OC(C1CCCCC1)C(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H40N4O4/c1-2-3-5-12-23(32)35-24(20-9-6-4-7-10-20)27(34)31-17-8-11-22(31)26(33)30-18-19-13-15-21(16-14-19)25(28)29/h13-16,20,22,24H,2-12,17-18H2,1H3,(H3,28,29)(H,30,33)