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

Systemtic Name: methyl (2S)-2-[[(2R)-4-ethanoyl-1-piperidin-4-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-[[[(2R)-4-acetyl-1-[oxo(4-piperidinyl)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-4-acetyl-1-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-[[(2R)-4-acetyl-1-isonipecotoyl-piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C24H34N4O6 MolecularWeight: 474.54996

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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)C3CCNCC3

Isomeric SMILES

CC(=O)N1CCN([C@H](C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)OC)C(=O)C3CCNCC3

InChI

InChI=1S/C24H34N4O6/c1-16(29)27-12-13-28(23(31)18-8-10-25-11-9-18)21(15-27)22(30)26-20(24(32)34-3)14-17-4-6-19(33-2)7-5-17/h4-7,18,20-21,25H,8-15H2,1-3H3,(H,26,30)/t20-,21+/m0/s1