[2-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[2-[(6-carbamimidoyl-3-pyridyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[2-[[(6-carbamimidoyl-3-pyridinyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-cyclohexyl-2-oxoethyl] ester IUPAC Name: [2-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl] acetate Traditional Name: acetic acid [2-[2-[(6-amidino-3-pyridyl)methylcarbamoyl]pyrrolidino]-1-cyclohexyl-2-keto-ethyl] ester Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4/c1-14(28)31-19(16-6-3-2-4-7-16)22(30)27-11-5-8-18(27)21(29)26-13-15-9-10-17(20(23)24)25-12-15/h9-10,12,16,18-19H,2-8,11,13H2,1H3,(H3,23,24)(H,26,29)