(3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2H-pyran-6-yloxy)-3-(triphenylmethyl)sulfanyl-butanoic acid

Systemtic Name: (3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2H-pyran-6-yloxy)-3-(triphenylmethyl)sulfanyl-butanoic acid Openeye Name: (3S)-2-(tert-butoxycarbonylamino)-4-(2H-pyran-6-yloxy)-3-tritylsulfanyl-butanoic acid CAS Name: (3S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(2H-pyran-6-yloxy)-3-[(triphenylmethyl)thio]butanoic acid IUPAC Name: (3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2H-pyran-6-yloxy)-3-tritylsulfanylbutanoic acid Traditional Name: (3S)-2-(tert-butoxycarbonylamino)-4-(2H-pyran-6-yloxy)-3-(tritylthio)butyric acid Formula: C33H35NO6S MolecularWeight: 573.6991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(COC1=CC=CCO1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC([C@@H](COC1=CC=CCO1)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C33H35NO6S/c1-32(2,3)40-31(37)34-29(30(35)36)27(23-39-28-21-13-14-22-38-28)41-33(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h4-21,27,29H,22-23H2,1-3H3,(H,34,37)(H,35,36)/t27-,29?/m1/s1