(2S)-N-cyclohexyl-2-[phenethyl(2-thiophen-2-ylethanoyl)amino]-2-pyridin-3-yl-ethanamide

Systemtic Name: (2S)-N-cyclohexyl-2-[phenethyl(2-thiophen-2-ylethanoyl)amino]-2-pyridin-3-yl-ethanamide Openeye Name: (2S)-N-cyclohexyl-2-[phenethyl-[2-(2-thienyl)acetyl]amino]-2-(3-pyridyl)acetamide CAS Name: (2S)-N-cyclohexyl-2-[(1-oxo-2-thiophen-2-ylethyl)-phenethylamino]-2-(3-pyridinyl)acetamide IUPAC Name: (2S)-N-cyclohexyl-2-[phenethyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-3-ylacetamide Traditional Name: (2S)-N-cyclohexyl-2-[phenethyl-[2-(2-thienyl)acetyl]amino]-2-(3-pyridyl)acetamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(CCC3=CC=CC=C3)C(=O)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H](C2=CN=CC=C2)N(CCC3=CC=CC=C3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C27H31N3O2S/c31-25(19-24-14-8-18-33-24)30(17-15-21-9-3-1-4-10-21)26(22-11-7-16-28-20-22)27(32)29-23-12-5-2-6-13-23/h1,3-4,7-11,14,16,18,20,23,26H,2,5-6,12-13,15,17,19H2,(H,29,32)/t26-/m0/s1