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

Systemtic Name: (2S)-2-[(5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(5-chloro-1-keto-3-methyl-isochroman-7-carbonyl)amino]-4-methyl-valeric acid Formula: C17H20ClNO5 MolecularWeight: 353.7974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO5/c1-8(2)4-14(16(21)22)19-15(20)10-6-12-11(13(18)7-10)5-9(3)24-17(12)23/h6-9,14H,4-5H2,1-3H3,(H,19,20)(H,21,22)/t9?,14-/m0/s1