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

Systemtic Name: (2S)-2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-hydroxy-butanoic acid CAS Name: (2S)-2-[[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-hydroxybutanoic acid Traditional Name: (2S)-2-[(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-hydroxy-butyric acid Formula: C15H16ClNO7 MolecularWeight: 357.74304

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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)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO7/c1-5-3-7-9(16)4-8(12(19)10(7)15(23)24-5)13(20)17-11(6(2)18)14(21)22/h4-6,11,18-19H,3H2,1-2H3,(H,17,20)(H,21,22)/t5?,6?,11-/m0/s1