2-[[1-[2-[(4-carbamimidoylfuran-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[1-[2-[(4-carbamimidoylfuran-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]ethanoic acid Openeye Name: 2-[[2-[2-[(4-carbamimidoyl-2-furyl)methylcarbamoyl]pyrrolidin-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[1-[2-[[(4-carbamimidoyl-2-furanyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid IUPAC Name: 2-[[1-[2-[(4-carbamimidoylfuran-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid Traditional Name: 2-[[2-[2-[(4-amidino-2-furyl)methylcarbamoyl]pyrrolidino]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid Formula: C22H33N5O5 MolecularWeight: 447.52792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NCC3=CC(=CO3)C(=N)N)NCC(=O)O

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NCC3=CC(=CO3)C(=N)N)NCC(=O)O

InChI

InChI=1S/C22H33N5O5/c23-20(24)15-10-16(32-13-15)11-26-21(30)18-7-4-8-27(18)22(31)17(25-12-19(28)29)9-14-5-2-1-3-6-14/h10,13-14,17-18,25H,1-9,11-12H2,(H3,23,24)(H,26,30)(H,28,29)