(2S)-2-[[(3R,9bR)-5-oxidanylidene-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindol-3-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[(3R,9bR)-5-oxidanylidene-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindol-3-yl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[(3R,9bR)-5-oxo-3,9b-dihydro-2H-thiazolo[2,3-a]isoindole-3-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[(3R,9bR)-5-oxo-3,9b-dihydro-2H-thiazolo[2,3-a]isoindol-3-yl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[(3R,9bR)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(3R,9bR)-5-keto-3,9b-dihydro-2H-thiazol[2,3-a]isoindole-3-carbonyl]amino]-3-methyl-butyrate Formula: C16H17N2O4S- MolecularWeight: 333.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1CSC2N1C(=O)C3=CC=CC=C23

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)[C@@H]1CS[C@H]2N1C(=O)C3=CC=CC=C23

InChI

InChI=1S/C16H18N2O4S/c1-8(2)12(16(21)22)17-13(19)11-7-23-15-10-6-4-3-5-9(10)14(20)18(11)15/h3-6,8,11-12,15H,7H2,1-2H3,(H,17,19)(H,21,22)/p-1/t11-,12-,15+/m0/s1