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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl(thiophene-2-carbonyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl-[oxo(thiophen-2-yl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl(thiophene-2-carbonyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[2-methoxyethyl(2-thenoyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C27H37N5O4S MolecularWeight: 527.67878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N5O4S/c1-36-11-10-31(27(35)24-8-4-12-37-24)22-14-23(32(18-22)26(34)21-7-3-9-29-17-21)25(33)30-16-20-6-2-5-19(13-20)15-28/h3-4,7-9,12,17,19-20,22-23H,2,5-6,10-11,13-16,18,28H2,1H3,(H,30,33)