tert-butyl 2-[1-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]-2-cyclohexyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]iminoethanoate

Systemtic Name: tert-butyl 2-[1-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]-2-cyclohexyl-pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]iminoethanoate Openeye Name: tert-butyl 2-[2-[2-[(6-carbamimidoyl-3-pyridyl)methylcarbamoyl]-2-cyclohexyl-pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]iminoacetate CAS Name: 2-[1-[2-[[(6-carbamimidoyl-3-pyridinyl)methylamino]-oxomethyl]-2-cyclohexyl-1-pyrrolidinyl]-1-oxopropan-2-yl]iminoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]-2-cyclohexylpyrrolidin-1-yl]-1-oxopropan-2-yl]iminoacetate Traditional Name: 2-[2-[2-[(6-amidino-3-pyridyl)methylcarbamoyl]-2-cyclohexyl-pyrrolidino]-2-keto-1-methyl-ethyl]iminoacetic acid tert-butyl ester Formula: C27H40N6O4 MolecularWeight: 512.6443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1(C2CCCCC2)C(=O)NCC3=CN=C(C=C3)C(=N)N)N=CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCCC1(C2CCCCC2)C(=O)NCC3=CN=C(C=C3)C(=N)N)N=CC(=O)OC(C)(C)C

InChI

InChI=1S/C27H40N6O4/c1-18(30-17-22(34)37-26(2,3)4)24(35)33-14-8-13-27(33,20-9-6-5-7-10-20)25(36)32-16-19-11-12-21(23(28)29)31-15-19/h11-12,15,17-18,20H,5-10,13-14,16H2,1-4H3,(H3,28,29)(H,32,36)