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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropylcarbonyl(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(isobutyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[[cyclopropyl(oxo)methyl]-(2-methylpropyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(isobutyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C26H40N4O3S MolecularWeight: 488.6858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O3S/c1-17(2)15-29(25(32)20-8-9-20)21-12-22(30(16-21)26(33)23-7-4-10-34-23)24(31)28-14-19-6-3-5-18(11-19)13-27/h4,7,10,17-22H,3,5-6,8-9,11-16,27H2,1-2H3,(H,28,31)