1-benzothiophen-2-yl N-[1-[2-[(1-azanylcyclohexyl)carbonylamino]ethylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate

Systemtic Name: 1-benzothiophen-2-yl N-[1-[2-[(1-azanylcyclohexyl)carbonylamino]ethylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate Openeye Name: benzothiophen-2-yl N-[1-[2-[(1-aminocyclohexanecarbonyl)amino]ethylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate CAS Name: N-[1-[[[[2-[[(1-aminocyclohexyl)-oxomethyl]amino]ethylamino]-oxomethyl]-phenethylamino]-oxomethyl]cyclopentyl]carbamic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl N-[1-[2-[(1-aminocyclohexanecarbonyl)amino]ethylcarbamoyl-phenethylcarbamoyl]cyclopentyl]carbamate Traditional Name: N-[1-[2-[(1-aminocyclohexanecarbonyl)amino]ethylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamic acid benzothiophen-2-yl ester Formula: C33H41N5O5S MolecularWeight: 619.77414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCCNC(=O)N(CCC2=CC=CC=C2)C(=O)C3(CCCC3)NC(=O)OC4=CC5=CC=CC=C5S4)N

Isomeric SMILES

C1CCC(CC1)(C(=O)NCCNC(=O)N(CCC2=CC=CC=C2)C(=O)C3(CCCC3)NC(=O)OC4=CC5=CC=CC=C5S4)N

InChI

InChI=1S/C33H41N5O5S/c34-32(16-7-2-8-17-32)28(39)35-20-21-36-30(41)38(22-15-24-11-3-1-4-12-24)29(40)33(18-9-10-19-33)37-31(42)43-27-23-25-13-5-6-14-26(25)44-27/h1,3-6,11-14,23H,2,7-10,15-22,34H2,(H,35,39)(H,36,41)(H,37,42)