(6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: (6-chloranyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: (6-chloro-1-hydroxy-9-oxo-xanthen-3-yl) (2S)-2-(tert-butoxycarbonylamino)pentanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid (6-chloro-1-hydroxy-9-oxo-3-xanthenyl) ester IUPAC Name: (6-chloro-1-hydroxy-9-oxoxanthen-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)valeric acid (6-chloro-1-hydroxy-9-keto-xanthen-3-yl) ester Formula: C23H24ClNO7 MolecularWeight: 461.89216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClNO7/c1-5-6-15(25-22(29)32-23(2,3)4)21(28)30-13-10-16(26)19-18(11-13)31-17-9-12(24)7-8-14(17)20(19)27/h7-11,15,26H,5-6H2,1-4H3,(H,25,29)/t15-/m0/s1