methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-1-morpholin-4-ylcarbonylpiperazin-4-ium-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-1-morpholin-4-ylcarbonylpiperazin-4-ium-2-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-1-(morpholine-4-carbonyl)piperazin-4-ium-2-carbonyl]amino]propanoate CAS Name: (2S)-3-(4-methoxyphenyl)-2-[[[(2S)-1-[4-morpholinyl(oxo)methyl]-2-piperazin-4-iumyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-1-(morpholine-4-carbonyl)piperazin-4-ium-2-carbonyl]amino]propanoate Traditional Name: (2S)-3-(4-methoxyphenyl)-2-[[(2S)-1-(morpholine-4-carbonyl)piperazin-4-ium-2-carbonyl]amino]propionic acid methyl ester Formula: C21H31N4O6+ MolecularWeight: 435.49404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2C[NH2+]CCN2C(=O)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@@H]2C[NH2+]CCN2C(=O)N3CCOCC3

InChI

InChI=1S/C21H30N4O6/c1-29-16-5-3-15(4-6-16)13-17(20(27)30-2)23-19(26)18-14-22-7-8-25(18)21(28)24-9-11-31-12-10-24/h3-6,17-18,22H,7-14H2,1-2H3,(H,23,26)/p+1/t17-,18-/m0/s1