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

Systemtic Name: (2S)-2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-methyl-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-methylbutanoic acid IUPAC Name: (2S)-2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-methyl-butyric acid Formula: C16H18ClNO6 MolecularWeight: 355.77022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO6/c1-6(2)12(15(21)22)18-14(20)9-5-10(17)8-4-7(3)24-16(23)11(8)13(9)19/h5-7,12,19H,4H2,1-3H3,(H,18,20)(H,21,22)/t7?,12-/m0/s1