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

Systemtic Name: methyl (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]propanoate Openeye Name: methyl (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]propanoate CAS Name: (3S)-3-(4-chlorophenyl)-3-[[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]propanoate Traditional Name: (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-(2-thenoyl)nipecotoyl]amino]propionic acid methyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4S/c1-28-19(25)12-17(14-6-8-16(22)9-7-14)23-20(26)15-4-2-10-24(13-15)21(27)18-5-3-11-29-18/h3,5-9,11,15,17H,2,4,10,12-13H2,1H3,(H,23,26)/t15-,17-/m0/s1