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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropylcarbonyl-4-[oxolan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[tetrahydrofuran-2-ylmethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[cyclopropyl(oxo)methyl]-4-[2-oxolanylmethyl-[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[oxolan-2-ylmethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[tetrahydrofurfuryl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C27H40N4O4S MolecularWeight: 516.6959

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3CC3)N(CC4CCCO4)C(=O)C5=CC=CS5)CN

Isomeric SMILES

C1CC(CC(C1)CNC(=O)C2CC(CN2C(=O)C3CC3)N(CC4CCCO4)C(=O)C5=CC=CS5)CN

InChI

InChI=1S/C27H40N4O4S/c28-14-18-4-1-5-19(12-18)15-29-25(32)23-13-21(16-31(23)26(33)20-8-9-20)30(17-22-6-2-10-35-22)27(34)24-7-3-11-36-24/h3,7,11,18-23H,1-2,4-6,8-10,12-17,28H2,(H,29,32)