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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methylpropyl(thiophen-2-ylcarbonyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[isobutyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methylpropyl-[oxo(thiophen-2-yl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methylpropyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[isobutyl(2-thenoyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C27H38N4O3S2 MolecularWeight: 530.74562

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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)C4=CC=CS4

Isomeric SMILES

CC(C)CN(C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NCC3CCCC(C3)CN)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H38N4O3S2/c1-18(2)16-30(26(33)23-8-4-10-35-23)21-13-22(31(17-21)27(34)24-9-5-11-36-24)25(32)29-15-20-7-3-6-19(12-20)14-28/h4-5,8-11,18-22H,3,6-7,12-17,28H2,1-2H3,(H,29,32)