methyl (2R)-2-[[(2S)-4-methylsulfonyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-4-methylsulfonyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-4-methylsulfonyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-4-methylsulfonyl-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-4-methylsulfonyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-4-mesyl-1-(2-thenoyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C15H21N3O6S2 MolecularWeight: 403.47374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2=CC=CS2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1C(=O)C2=CC=CS2)S(=O)(=O)C

InChI

InChI=1S/C15H21N3O6S2/c1-10(15(21)24-2)16-13(19)11-9-17(26(3,22)23)6-7-18(11)14(20)12-5-4-8-25-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,19)/t10-,11+/m1/s1