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

Systemtic Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2R)-4-pyridin-3-ylcarbonyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2R)-4-(pyridine-3-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2S)-3-(4-methoxyphenyl)-2-[[oxo-[(2R)-4-[oxo(3-pyridinyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-methoxyphenyl)-2-[[(2R)-4-(pyridine-3-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2S)-3-(4-methoxyphenyl)-2-[[(2R)-4-nicotinoyl-1-(2-thenoyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C27H28N4O6S MolecularWeight: 536.59942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)OC)NC(=O)[C@H]2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H28N4O6S/c1-36-20-9-7-18(8-10-20)15-21(27(35)37-2)29-24(32)22-17-30(25(33)19-5-3-11-28-16-19)12-13-31(22)26(34)23-6-4-14-38-23/h3-11,14,16,21-22H,12-13,15,17H2,1-2H3,(H,29,32)/t21-,22+/m0/s1