[3-[[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]carbamoyl]-1-methylsulfonyl-5-phenyl-pentan-3-yl]carbamic acid

Systemtic Name: [3-[[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]carbamoyl]-1-methylsulfonyl-5-phenyl-pentan-3-yl]carbamic acid Openeye Name: [1-[[2-[(5-carbamimidoyl-2-thienyl)methylamino]-2-oxo-ethyl]carbamoyl]-1-(2-methylsulfonylethyl)-3-phenyl-propyl]carbamic acid CAS Name: [3-[[[2-[(5-carbamimidoyl-2-thiophenyl)methylamino]-2-oxoethyl]amino]-oxomethyl]-1-methylsulfonyl-5-phenylpentan-3-yl]carbamic acid IUPAC Name: [3-[[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxoethyl]carbamoyl]-1-methylsulfonyl-5-phenylpentan-3-yl]carbamic acid Traditional Name: [1-[[2-[(5-amidino-2-thienyl)methylamino]-2-keto-ethyl]carbamoyl]-1-(2-mesylethyl)-3-phenyl-propyl]carbamic acid Formula: C22H29N5O6S2 MolecularWeight: 523.62556

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(CCC1=CC=CC=C1)(C(=O)NCC(=O)NCC2=CC=C(S2)C(=N)N)NC(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(CCC1=CC=CC=C1)(C(=O)NCC(=O)NCC2=CC=C(S2)C(=N)N)NC(=O)O

InChI

InChI=1S/C22H29N5O6S2/c1-35(32,33)12-11-22(27-21(30)31,10-9-15-5-3-2-4-6-15)20(29)26-14-18(28)25-13-16-7-8-17(34-16)19(23)24/h2-8,27H,9-14H2,1H3,(H3,23,24)(H,25,28)(H,26,29)(H,30,31)