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

Systemtic Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2R)-1-methylsulfonyl-4-pyridin-3-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2R)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2S)-3-(4-methoxyphenyl)-2-[[[(2R)-1-methylsulfonyl-4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2R)-1-methylsulfonyl-4-(pyridine-3-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[(2R)-1-mesyl-4-nicotinoyl-piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C23H28N4O7S MolecularWeight: 504.55602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CN(CCN2S(=O)(=O)C)C(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@H]2CN(CCN2S(=O)(=O)C)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H28N4O7S/c1-33-18-8-6-16(7-9-18)13-19(23(30)34-2)25-21(28)20-15-26(11-12-27(20)35(3,31)32)22(29)17-5-4-10-24-14-17/h4-10,14,19-20H,11-13,15H2,1-3H3,(H,25,28)/t19-,20+/m0/s1