methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-thiophen-2-ylcarbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-4-[anilino(oxo)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-(thiophene-2-carbonyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-4-(phenylcarbamoyl)-1-(2-thenoyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1C(=O)C2=CC=CS2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O5S/c1-14(20(28)30-2)22-18(26)16-13-24(21(29)23-15-7-4-3-5-8-15)10-11-25(16)19(27)17-9-6-12-31-17/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,22,26)(H,23,29)/t14-,16-/m1/s1