methyl (3S)-3-(4-methylphenyl)-3-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl (3S)-3-(4-methylphenyl)-3-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]propanoate Openeye Name: methyl (3S)-3-(p-tolyl)-3-[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]propanoate CAS Name: (3S)-3-(4-methylphenyl)-3-[[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-methylphenyl)-3-[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]propanoate Traditional Name: (3S)-3-(p-tolyl)-3-[[(3S)-1-(2-thenoyl)nipecotoyl]amino]propionic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c1-15-7-9-16(10-8-15)18(13-20(25)28-2)23-21(26)17-5-3-11-24(14-17)22(27)19-6-4-12-29-19/h4,6-10,12,17-18H,3,5,11,13-14H2,1-2H3,(H,23,26)/t17-,18-/m0/s1