(2R)-N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[(4-methylphenyl)-oxomethyl]-4-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[(5-methylthiophen-2-yl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-1-p-toluoyl-pipecolinamide Formula: C30H38N4O2S MolecularWeight: 518.71332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(S4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(C[C@@H]2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(S4)C

InChI

InChI=1S/C30H38N4O2S/c1-22-8-11-25(12-9-22)30(36)34-19-15-26(20-28(34)29(35)32-17-16-31)33(21-27-13-10-23(2)37-27)18-14-24-6-4-3-5-7-24/h3-13,26,28H,14-21,31H2,1-2H3,(H,32,35)/t26?,28-/m1/s1