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

Systemtic Name: (2S)-2-[(5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(5-chloro-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-methyl-butyric acid Formula: C16H18ClNO5 MolecularWeight: 339.77082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO5/c1-7(2)13(15(20)21)18-14(19)9-5-11-10(12(17)6-9)4-8(3)23-16(11)22/h5-8,13H,4H2,1-3H3,(H,18,19)(H,20,21)/t8?,13-/m0/s1