N-(2-azanylethyl)-4-[phenethyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[phenethyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[phenethyl(thiophene-2-carbonyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[oxo(3-pyridinyl)methyl]-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[phenethyl(thiophene-2-carbonyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-nicotinoyl-4-[phenethyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCN)C(=O)C2=CN=CC=C2)N(CCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1C(CN(C1C(=O)NCCN)C(=O)C2=CN=CC=C2)N(CCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H29N5O3S/c27-11-13-29-24(32)22-16-21(18-31(22)25(33)20-8-4-12-28-17-20)30(26(34)23-9-5-15-35-23)14-10-19-6-2-1-3-7-19/h1-9,12,15,17,21-22H,10-11,13-14,16,18,27H2,(H,29,32)