propan-2-yl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclopentylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: propan-2-yl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclopentylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: isopropyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-cyclopentylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(cyclopentylthio)-3-methyl-1-oxobutan-2-yl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclopentylsulfanyl-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(cyclopentylthio)-2-methyl-propyl]carbamic acid isopropyl ester Formula: C27H47N5O4S MolecularWeight: 537.75818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)C(C)(C)SC3CCCC3

Isomeric SMILES

CC(C)OC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)C(C)(C)SC3CCCC3

InChI

InChI=1S/C27H47N5O4S/c1-17(2)36-26(35)31-22(27(3,4)37-20-8-5-6-9-20)25(34)32-15-7-10-21(32)24(33)30-16-18-11-13-19(14-12-18)23(28)29/h17-22H,5-16H2,1-4H3,(H3,28,29)(H,30,33)(H,31,35)