methyl (2S)-2-[[(2R)-1,4-diethanoylpiperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-1,4-diethanoylpiperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-[[[(2R)-1,4-diacetyl-2-piperazinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-[[(2R)-1,4-diacetylpiperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)OC)C(=O)C

Isomeric SMILES

CC(=O)N1CCN([C@H](C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)OC)C(=O)C

InChI

InChI=1S/C20H27N3O6/c1-13(24)22-9-10-23(14(2)25)18(12-22)19(26)21-17(20(27)29-4)11-15-5-7-16(28-3)8-6-15/h5-8,17-18H,9-12H2,1-4H3,(H,21,26)/t17-,18+/m0/s1