3-azanyl-6-[[3-methyl-1-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)butyl]amino]-4-oxidanyl-6-oxidanylidene-5-phosphonooxy-hexanoic acid

Systemtic Name: 3-azanyl-6-[[3-methyl-1-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)butyl]amino]-4-oxidanyl-6-oxidanylidene-5-phosphonooxy-hexanoic acid Openeye Name: 3-amino-4-hydroxy-6-[[1-(8-hydroxy-1-oxo-isochroman-3-yl)-3-methyl-butyl]amino]-6-oxo-5-phosphonooxy-hexanoic acid CAS Name: 3-amino-4-hydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-3-methylbutyl]amino]-6-oxo-5-phosphonooxyhexanoic acid IUPAC Name: 3-amino-4-hydroxy-6-[[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]amino]-6-oxo-5-phosphonooxyhexanoic acid Traditional Name: 3-amino-4-hydroxy-6-[[1-(8-hydroxy-1-keto-isochroman-3-yl)-3-methyl-butyl]amino]-6-keto-5-phosphonooxy-hexanoic acid Formula: C20H29N2O11P MolecularWeight: 504.424821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C(CC(=O)O)N)O)OP(=O)(O)O

Isomeric SMILES

CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C(CC(=O)O)N)O)OP(=O)(O)O

InChI

InChI=1S/C20H29N2O11P/c1-9(2)6-12(14-7-10-4-3-5-13(23)16(10)20(28)32-14)22-19(27)18(33-34(29,30)31)17(26)11(21)8-15(24)25/h3-5,9,11-12,14,17-18,23,26H,6-8,21H2,1-2H3,(H,22,27)(H,24,25)(H2,29,30,31)