2-azanyl-3-[3-[2,3-bis(oxidanyl)propyl-methyl-carbamoyl]-2-methyl-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[2,3-bis(oxidanyl)propyl-methyl-carbamoyl]-2-methyl-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-4-hydroxy-2-methyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[2,3-dihydroxypropyl(methyl)amino]-oxomethyl]-4-hydroxy-2-methylphenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-4-hydroxy-2-methylphenyl]propanoic acid Traditional Name: 2-amino-3-[3-[glyceryl(methyl)carbamoyl]-4-hydroxy-2-methyl-phenyl]propionic acid Formula: C15H22N2O6 MolecularWeight: 326.34498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)N(C)CC(CO)O)O)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)N(C)CC(CO)O)O)CC(C(=O)O)N

InChI

InChI=1S/C15H22N2O6/c1-8-9(5-11(16)15(22)23)3-4-12(20)13(8)14(21)17(2)6-10(19)7-18/h3-4,10-11,18-20H,5-7,16H2,1-2H3,(H,22,23)