(2S)-4-methyl-2-(phenoxathiin-4-ylcarbonylamino)pentanoic acid

Systemtic Name: (2S)-4-methyl-2-(phenoxathiin-4-ylcarbonylamino)pentanoic acid Openeye Name: (2S)-4-methyl-2-(phenoxathiine-4-carbonylamino)pentanoic acid CAS Name: (2S)-4-methyl-2-[[oxo(4-phenoxathiinyl)methyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-(phenoxathiine-4-carbonylamino)pentanoic acid Traditional Name: (2S)-4-methyl-2-(phenoxathiine-4-carbonylamino)valeric acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3O2

InChI

InChI=1S/C19H19NO4S/c1-11(2)10-13(19(22)23)20-18(21)12-6-5-9-16-17(12)24-14-7-3-4-8-15(14)25-16/h3-9,11,13H,10H2,1-2H3,(H,20,21)(H,22,23)/t13-/m0/s1