N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[oxolan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[oxolan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(pyridine-3-carbonyl)-4-[tetrahydrofuran-2-ylmethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-oxolanylmethyl-[oxo(thiophen-2-yl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[oxolan-2-ylmethyl(thiophene-2-carbonyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-nicotinoyl-4-[tetrahydrofurfuryl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C29H39N5O4S MolecularWeight: 553.71606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4CCCO4)C(=O)C5=CC=CS5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4CCCO4)C(=O)C5=CC=CS5)CN

InChI

InChI=1S/C29H39N5O4S/c30-15-20-5-1-6-21(13-20)16-32-27(35)25-14-23(18-34(25)28(36)22-7-2-10-31-17-22)33(19-24-8-3-11-38-24)29(37)26-9-4-12-39-26/h2,4,7,9-10,12,17,20-21,23-25H,1,3,5-6,8,11,13-16,18-19,30H2,(H,32,35)