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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl-(4-methoxyphenyl)carbonyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-methoxybenzoyl)-(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl-[(4-methoxyphenyl)-oxomethyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-methoxybenzoyl)-(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl(p-anisoyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C29H40N4O5S MolecularWeight: 556.7167

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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)C4=CC=C(C=C4)OC

Isomeric SMILES

COCCN(C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCC3CCCC(C3)CN)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H40N4O5S/c1-37-13-12-32(28(35)22-8-10-24(38-2)11-9-22)23-16-25(33(19-23)29(36)26-7-4-14-39-26)27(34)31-18-21-6-3-5-20(15-21)17-30/h4,7-11,14,20-21,23,25H,3,5-6,12-13,15-19,30H2,1-2H3,(H,31,34)