(6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-1-hydroxy-9-oxo-xanthen-3-yl) (2R)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)butanoic acid (6-chloro-1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (6-chloro-1-hydroxy-9-oxoxanthen-3-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-4-(methylthio)butyric acid (6-chloro-1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C23H24ClNO7S MolecularWeight: 493.95716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCSC)C(=O)OC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC(=C3)Cl)O

InChI

InChI=1S/C23H24ClNO7S/c1-23(2,3)32-22(29)25-15(7-8-33-4)21(28)30-13-10-16(26)19-18(11-13)31-17-9-12(24)5-6-14(17)20(19)27/h5-6,9-11,15,26H,7-8H2,1-4H3,(H,25,29)/t15-/m1/s1