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

Systemtic Name: methyl (2R)-2-[[(2S)-4-(3-fluorophenyl)carbonyl-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-4-[(3-fluorophenyl)-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(2-thenoyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C21H22FN3O5S MolecularWeight: 447.479883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O5S/c1-13(21(29)30-2)23-18(26)16-12-24(19(27)14-5-3-6-15(22)11-14)8-9-25(16)20(28)17-7-4-10-31-17/h3-7,10-11,13,16H,8-9,12H2,1-2H3,(H,23,26)/t13-,16+/m1/s1