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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methylpropyl-(phenylmethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(isobutyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methylpropyl-(phenylmethyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[benzyl(isobutyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C29H42N4O2S MolecularWeight: 510.73438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NCC4CCCC(C4)CN

Isomeric SMILES

CC(C)CN(CC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NCC4CCCC(C4)CN

InChI

InChI=1S/C29H42N4O2S/c1-21(2)18-32(19-22-8-4-3-5-9-22)25-15-26(33(20-25)29(35)27-12-7-13-36-27)28(34)31-17-24-11-6-10-23(14-24)16-30/h3-5,7-9,12-13,21,23-26H,6,10-11,14-20,30H2,1-2H3,(H,31,34)