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

Systemtic Name: methyl (2S)-2-[[(2R)-4-ethanoyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2R)-4-acetyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2S)-2-[[[(2R)-4-acetyl-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-4-acetyl-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2S)-2-[[(2R)-4-acetyl-1-(2-thenoyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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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)C3=CC=CS3

Isomeric SMILES

CC(=O)N1CCN([C@H](C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)OC)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H27N3O6S/c1-15(27)25-10-11-26(22(29)20-5-4-12-33-20)19(14-25)21(28)24-18(23(30)32-3)13-16-6-8-17(31-2)9-7-16/h4-9,12,18-19H,10-11,13-14H2,1-3H3,(H,24,28)/t18-,19+/m0/s1