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

Systemtic Name: 2-[[2-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]ethanoic acid Openeye Name: 2-[[2-[2-[(6-carbamimidoyl-3-pyridyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[2-[2-[[(6-carbamimidoyl-3-pyridinyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[2-[(6-carbamimidoylpyridin-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid Traditional Name: 2-[[2-[2-[(6-amidino-3-pyridyl)methylcarbamoyl]pyrrolidino]-1-cyclohexyl-2-keto-ethyl]amino]acetic acid Formula: C22H32N6O4 MolecularWeight: 444.52728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)C(=N)N)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)C(C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)C(=N)N)NCC(=O)O

InChI

InChI=1S/C22H32N6O4/c23-20(24)16-9-8-14(11-25-16)12-27-21(31)17-7-4-10-28(17)22(32)19(26-13-18(29)30)15-5-2-1-3-6-15/h8-9,11,15,17,19,26H,1-7,10,12-13H2,(H3,23,24)(H,27,31)(H,29,30)