methyl N-[2-[2-[(5-carbamimidoylthiophen-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate

Systemtic Name: methyl N-[2-[2-[(5-carbamimidoylthiophen-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]carbamate Openeye Name: methyl N-[2-[2-[(5-carbamimidoyl-3-thienyl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxo-ethyl]carbamate CAS Name: N-[2-[2-[[(5-carbamimidoyl-3-thiophenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-cyclohexyl-2-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[2-[(5-carbamimidoylthiophen-3-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate Traditional Name: N-[2-[2-[(5-amidino-3-thienyl)methylcarbamoyl]pyrrolidino]-1-cyclohexyl-2-keto-ethyl]carbamic acid methyl ester Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NCC3=CSC(=C3)C(=N)N

Isomeric SMILES

COC(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NCC3=CSC(=C3)C(=N)N

InChI

InChI=1S/C21H31N5O4S/c1-30-21(29)25-17(14-6-3-2-4-7-14)20(28)26-9-5-8-15(26)19(27)24-11-13-10-16(18(22)23)31-12-13/h10,12,14-15,17H,2-9,11H2,1H3,(H3,22,23)(H,24,27)(H,25,29)