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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-ethanoyl-4-[oxolan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[tetrahydrofuran-2-ylmethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-oxolanylmethyl-[oxo(thiophen-2-yl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[oxolan-2-ylmethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[tetrahydrofurfuryl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C25H38N4O4S MolecularWeight: 490.65862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCC2CCCC(C2)CN)N(CC3CCCO3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCC2CCCC(C2)CN)N(CC3CCCO3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H38N4O4S/c1-17(30)28-15-20(12-22(28)24(31)27-14-19-6-2-5-18(11-19)13-26)29(16-21-7-3-9-33-21)25(32)23-8-4-10-34-23/h4,8,10,18-22H,2-3,5-7,9,11-16,26H2,1H3,(H,27,31)