(2R)-N-(2-azanylethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[cyclohexylmethyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[cyclohexylmethyl(m-anisyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C28H40N4O3S MolecularWeight: 512.7072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2CCCCC2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2CCCCC2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H40N4O3S/c1-35-24-10-5-9-22(17-24)20-31(19-21-7-3-2-4-8-21)23-12-15-32(28(34)26-11-6-16-36-26)25(18-23)27(33)30-14-13-29/h5-6,9-11,16-17,21,23,25H,2-4,7-8,12-15,18-20,29H2,1H3,(H,30,33)/t23?,25-/m1/s1