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

Systemtic Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-4-methylsulfonyl-1-morpholin-4-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-4-methylsulfonyl-1-(morpholine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2S)-3-(4-methoxyphenyl)-2-[[[(2S)-4-methylsulfonyl-1-[4-morpholinyl(oxo)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-4-methylsulfonyl-1-(morpholine-4-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-4-mesyl-1-(morpholine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C22H32N4O8S MolecularWeight: 512.57648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CN(CCN2C(=O)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@@H]2CN(CCN2C(=O)N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C22H32N4O8S/c1-32-17-6-4-16(5-7-17)14-18(21(28)33-2)23-20(27)19-15-25(35(3,30)31)8-9-26(19)22(29)24-10-12-34-13-11-24/h4-7,18-19H,8-15H2,1-3H3,(H,23,27)/t18-,19-/m0/s1