(2S)-2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]propionic acid Formula: C14H14ClNO6 MolecularWeight: 327.71706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(C)C(=O)O)Cl

Isomeric SMILES

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](C)C(=O)O)Cl

InChI

InChI=1S/C14H14ClNO6/c1-5-3-7-9(15)4-8(11(17)10(7)14(21)22-5)12(18)16-6(2)13(19)20/h4-6,17H,3H2,1-2H3,(H,16,18)(H,19,20)/t5?,6-/m0/s1