(2S)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethanoylamino)propanamide

Systemtic Name: (2S)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethanoylamino)propanamide Openeye Name: (2S)-3-tert-butoxy-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[[2-(2-thienyl)acetyl]amino]propanamide CAS Name: (2S)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(1-oxo-2-thiophen-2-ylethyl)amino]propanamide IUPAC Name: (2S)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-thiophen-2-ylacetyl)amino]propanamide Traditional Name: (2S)-3-tert-butoxy-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[[2-(2-thienyl)acetyl]amino]propionamide Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(C(=O)NCCC1=CC(=C(C=C1)O)O)NC(=O)CC2=CC=CS2

Isomeric SMILES

CC(C)(C)OC[C@@H](C(=O)NCCC1=CC(=C(C=C1)O)O)NC(=O)CC2=CC=CS2

InChI

InChI=1S/C21H28N2O5S/c1-21(2,3)28-13-16(23-19(26)12-15-5-4-10-29-15)20(27)22-9-8-14-6-7-17(24)18(25)11-14/h4-7,10-11,16,24-25H,8-9,12-13H2,1-3H3,(H,22,27)(H,23,26)/t16-/m0/s1