[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: (2S)-2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(2-thenoylamino)propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CS2

InChI

InChI=1S/C20H23N3O5S/c1-13(2)21-20(27)23-17(24)12-28-19(26)15(11-14-7-4-3-5-8-14)22-18(25)16-9-6-10-29-16/h3-10,13,15H,11-12H2,1-2H3,(H,22,25)(H2,21,23,24,27)/t15-/m0/s1