methyl (2S)-2-[[(2R)-1-cyclohexylcarbonyl-4-ethanoyl-piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-1-cyclohexylcarbonyl-4-ethanoyl-piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2R)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-[[[(2R)-4-acetyl-1-[cyclohexyl(oxo)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-[[(2R)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C25H35N3O6 MolecularWeight: 473.5619

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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)C3CCCCC3

Isomeric SMILES

CC(=O)N1CCN([C@H](C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)OC)C(=O)C3CCCCC3

InChI

InChI=1S/C25H35N3O6/c1-17(29)27-13-14-28(24(31)19-7-5-4-6-8-19)22(16-27)23(30)26-21(25(32)34-3)15-18-9-11-20(33-2)12-10-18/h9-12,19,21-22H,4-8,13-16H2,1-3H3,(H,26,30)/t21-,22+/m0/s1