methyl N-[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3,3-dicyclohexyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: methyl N-[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3,3-dicyclohexyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: methyl N-[1-[2-[(5-carbamimidoyl-2-thienyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dicyclohexyl-ethyl]carbamate CAS Name: N-[1-[2-[[(5-carbamimidoyl-2-thiophenyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3,3-dicyclohexyl-1-oxopropan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3,3-dicyclohexyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[2-[(5-amidino-2-thienyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dicyclohexyl-ethyl]carbamic acid methyl ester Formula: C28H43N5O4S MolecularWeight: 545.73712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(C(C1CCCCC1)C2CCCCC2)C(=O)N3CCCC3C(=O)NCC4=CC=C(S4)C(=N)N

Isomeric SMILES

COC(=O)NC(C(C1CCCCC1)C2CCCCC2)C(=O)N3CCCC3C(=O)NCC4=CC=C(S4)C(=N)N

InChI

InChI=1S/C28H43N5O4S/c1-37-28(36)32-24(23(18-9-4-2-5-10-18)19-11-6-3-7-12-19)27(35)33-16-8-13-21(33)26(34)31-17-20-14-15-22(38-20)25(29)30/h14-15,18-19,21,23-24H,2-13,16-17H2,1H3,(H3,29,30)(H,31,34)(H,32,36)