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

Systemtic Name: (2S)-2-[(5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-hydroxy-butanoic acid CAS Name: (2S)-2-[[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-hydroxybutanoic acid Traditional Name: (2S)-2-[(5-chloro-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-hydroxy-butyric acid Formula: C15H16ClNO6 MolecularWeight: 341.74364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO6/c1-6-3-9-10(15(22)23-6)4-8(5-11(9)16)13(19)17-12(7(2)18)14(20)21/h4-7,12,18H,3H2,1-2H3,(H,17,19)(H,20,21)/t6?,7?,12-/m0/s1