1-benzothiophen-2-yl N-[1-[[1-(1-azanylcyclopentyl)carbonylpiperidin-4-yl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate

Systemtic Name: 1-benzothiophen-2-yl N-[1-[[1-(1-azanylcyclopentyl)carbonylpiperidin-4-yl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate Openeye Name: benzothiophen-2-yl N-[1-[[1-(1-aminocyclopentanecarbonyl)-4-piperidyl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate CAS Name: N-[1-[[[[[1-[(1-aminocyclopentyl)-oxomethyl]-4-piperidinyl]methylamino]-oxomethyl]-phenethylamino]-oxomethyl]cyclopentyl]carbamic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl N-[1-[[1-(1-aminocyclopentanecarbonyl)piperidin-4-yl]methylcarbamoyl-phenethylcarbamoyl]cyclopentyl]carbamate Traditional Name: N-[1-[[1-(1-aminocyclopentanecarbonyl)-4-piperidyl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamic acid benzothiophen-2-yl ester Formula: C36H45N5O5S MolecularWeight: 659.838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N2CCC(CC2)CNC(=O)N(CCC3=CC=CC=C3)C(=O)C4(CCCC4)NC(=O)OC5=CC6=CC=CC=C6S5)N

Isomeric SMILES

C1CCC(C1)(C(=O)N2CCC(CC2)CNC(=O)N(CCC3=CC=CC=C3)C(=O)C4(CCCC4)NC(=O)OC5=CC6=CC=CC=C6S5)N

InChI

InChI=1S/C36H45N5O5S/c37-35(17-6-7-18-35)31(42)40-21-14-27(15-22-40)25-38-33(44)41(23-16-26-10-2-1-3-11-26)32(43)36(19-8-9-20-36)39-34(45)46-30-24-28-12-4-5-13-29(28)47-30/h1-5,10-13,24,27H,6-9,14-23,25,37H2,(H,38,44)(H,39,45)