methyl (2S)-2-[[(2S)-1-cyclohexylcarbonylpiperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1-cyclohexylcarbonylpiperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2S)-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-[[[(2S)-1-[cyclohexyl(oxo)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CNCCN2C(=O)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@@H]2CNCCN2C(=O)C3CCCCC3

InChI

InChI=1S/C23H33N3O5/c1-30-18-10-8-16(9-11-18)14-19(23(29)31-2)25-21(27)20-15-24-12-13-26(20)22(28)17-6-4-3-5-7-17/h8-11,17,19-20,24H,3-7,12-15H2,1-2H3,(H,25,27)/t19-,20-/m0/s1