methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-4-methylsulfonyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-4-methylsulfonyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-4-methylsulfonyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2S)-3-(4-methoxyphenyl)-2-[[[(2S)-4-methylsulfonyl-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-4-methylsulfonyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-4-mesyl-1-(2-thenoyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C22H27N3O7S2 MolecularWeight: 509.59568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@@H]2CN(CCN2C(=O)C3=CC=CS3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O7S2/c1-31-16-8-6-15(7-9-16)13-17(22(28)32-2)23-20(26)18-14-24(34(3,29)30)10-11-25(18)21(27)19-5-4-12-33-19/h4-9,12,17-18H,10-11,13-14H2,1-3H3,(H,23,26)/t17-,18-/m0/s1