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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(cyclohexylamino)-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-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(2-thenoylamino)propionic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H26N2O4S/c25-20(23-17-10-5-2-6-11-17)15-28-22(27)18(14-16-8-3-1-4-9-16)24-21(26)19-12-7-13-29-19/h1,3-4,7-9,12-13,17-18H,2,5-6,10-11,14-15H2,(H,23,25)(H,24,26)/t18-/m0/s1