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

Systemtic Name: (2S)-4-azanyl-2-[(5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[(5-chloro-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[(5-chloro-1-keto-3-methyl-isochroman-7-carbonyl)amino]-4-keto-butyric acid Formula: C15H15ClN2O6 MolecularWeight: 354.7424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O6/c1-6-2-8-9(15(23)24-6)3-7(4-10(8)16)13(20)18-11(14(21)22)5-12(17)19/h3-4,6,11H,2,5H2,1H3,(H2,17,19)(H,18,20)(H,21,22)/t6?,11-/m0/s1