N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropylcarbonyl(2-methoxyethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropylcarbonyl(2-methoxyethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[[cyclopropyl(oxo)methyl]-(2-methoxyethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methoxyethyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C25H38N4O4S MolecularWeight: 490.65862

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCC3CCCC(C3)CN)C(=O)C4CC4

Isomeric SMILES

COCCN(C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCC3CCCC(C3)CN)C(=O)C4CC4

InChI

InChI=1S/C25H38N4O4S/c1-33-10-9-28(24(31)19-7-8-19)20-13-21(29(16-20)25(32)22-6-3-11-34-22)23(30)27-15-18-5-2-4-17(12-18)14-26/h3,6,11,17-21H,2,4-5,7-10,12-16,26H2,1H3,(H,27,30)