methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-3-oxidanyl-5-(phenylsulfonyl)pent-4-enyl]amino]propanoate

Systemtic Name: methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-[(E)-3-oxidanyl-5-(phenylsulfonyl)pent-4-enyl]amino]propanoate Openeye Name: methyl 3-[[(E)-5-(benzenesulfonyl)-3-hydroxy-pent-4-enyl]-tert-butoxycarbonyl-amino]propanoate CAS Name: 3-[[(E)-5-(benzenesulfonyl)-3-hydroxypent-4-enyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(E)-5-(benzenesulfonyl)-3-hydroxypent-4-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate Traditional Name: 3-[[(E)-5-besyl-3-hydroxy-pent-4-enyl]-tert-butoxycarbonyl-amino]propionic acid methyl ester Formula: C20H29NO7S MolecularWeight: 427.51176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC(C=CS(=O)(=O)C1=CC=CC=C1)O)CCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC(/C=C/S(=O)(=O)C1=CC=CC=C1)O)CCC(=O)OC

InChI

InChI=1S/C20H29NO7S/c1-20(2,3)28-19(24)21(14-11-18(23)27-4)13-10-16(22)12-15-29(25,26)17-8-6-5-7-9-17/h5-9,12,15-16,22H,10-11,13-14H2,1-4H3/b15-12+