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

Systemtic Name: (2S)-2-[[3-(hydroxymethyl)-8-oxidanyl-1-oxidanylidene-10H-anthracen-9-yl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[8-hydroxy-3-(hydroxymethyl)-1-oxo-10H-anthracen-9-yl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[8-hydroxy-3-(hydroxymethyl)-1-oxo-10H-anthracen-9-yl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[8-hydroxy-3-(hydroxymethyl)-1-oxo-10H-anthracen-9-yl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(8-hydroxy-1-keto-3-methylol-10H-anthracen-9-yl)amino]-3-methyl-butyric acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-10(2)18(20(25)26)21-19-16-12(4-3-5-14(16)23)8-13-6-11(9-22)7-15(24)17(13)19/h3-7,10,18,21-23H,8-9H2,1-2H3,(H,25,26)/t18-/m0/s1