(2R)-N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(5-methylthiophen-2-yl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-m-anisoyl-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]pipecolinamide Formula: C30H38N4O3S MolecularWeight: 534.71272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C30H38N4O3S/c1-22-11-12-27(38-22)21-33(17-13-23-7-4-3-5-8-23)25-14-18-34(28(20-25)29(35)32-16-15-31)30(36)24-9-6-10-26(19-24)37-2/h3-12,19,25,28H,13-18,20-21,31H2,1-2H3,(H,32,35)/t25?,28-/m1/s1