(2S,3R)-2-[[3-(hydroxymethyl)-8-oxidanyl-1-oxidanylidene-10H-anthracen-9-yl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[3-(hydroxymethyl)-8-oxidanyl-1-oxidanylidene-10H-anthracen-9-yl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-3-hydroxy-2-[[8-hydroxy-3-(hydroxymethyl)-1-oxo-10H-anthracen-9-yl]amino]butanoic acid CAS Name: (2S,3R)-3-hydroxy-2-[[8-hydroxy-3-(hydroxymethyl)-1-oxo-10H-anthracen-9-yl]amino]butanoic acid IUPAC Name: (2S,3R)-3-hydroxy-2-[[8-hydroxy-3-(hydroxymethyl)-1-oxo-10H-anthracen-9-yl]amino]butanoic acid Traditional Name: (2S,3R)-3-hydroxy-2-[(8-hydroxy-1-keto-3-methylol-10H-anthracen-9-yl)amino]butyric acid Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC1=C2C(=CC(=CC2=O)CO)CC3=C1C(=CC=C3)O)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC1=C2C(=CC(=CC2=O)CO)CC3=C1C(=CC=C3)O)O

InChI

InChI=1S/C19H19NO6/c1-9(22)17(19(25)26)20-18-15-11(3-2-4-13(15)23)7-12-5-10(8-21)6-14(24)16(12)18/h2-6,9,17,20-23H,7-8H2,1H3,(H,25,26)/t9-,17+/m1/s1