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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(CCCN2C(=O)CNCC(=O)O)C(=O)NCC3=CN=C(C=C3)C(=N)N

Isomeric SMILES

C1CCC(CC1)C2(CCCN2C(=O)CNCC(=O)O)C(=O)NCC3=CN=C(C=C3)C(=N)N

InChI

InChI=1S/C22H32N6O4/c23-20(24)17-8-7-15(11-26-17)12-27-21(32)22(16-5-2-1-3-6-16)9-4-10-28(22)18(29)13-25-14-19(30)31/h7-8,11,16,25H,1-6,9-10,12-14H2,(H3,23,24)(H,27,32)(H,30,31)