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

Systemtic Name: (2S)-2-[(3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-phenyl-propionic acid Formula: C20H19NO6 MolecularWeight: 369.36796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)O)C(=O)O1

Isomeric SMILES

CC1CC2=C(C(=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)O1

InChI

InChI=1S/C20H19NO6/c1-11-9-13-7-8-14(17(22)16(13)20(26)27-11)18(23)21-15(19(24)25)10-12-5-3-2-4-6-12/h2-8,11,15,22H,9-10H2,1H3,(H,21,23)(H,24,25)/t11?,15-/m0/s1