(3-oxidanylidene-1H-2-benzofuran-1-yl) (2S,3R)-3-azanyl-2-oxidanyl-5-propan-2-ylsulfanyl-pentanoate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) (2S,3R)-3-azanyl-2-oxidanyl-5-propan-2-ylsulfanyl-pentanoate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) (2S,3R)-3-amino-2-hydroxy-5-isopropylsulfanyl-pentanoate CAS Name: (2S,3R)-3-amino-2-hydroxy-5-(propan-2-ylthio)pentanoic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) (2S,3R)-3-amino-2-hydroxy-5-propan-2-ylsulfanylpentanoate Traditional Name: (2S,3R)-3-amino-2-hydroxy-5-(isopropylthio)valeric acid phthalidyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCC(C(C(=O)OC1C2=CC=CC=C2C(=O)O1)O)N

Isomeric SMILES

CC(C)SCC[C@H]([C@@H](C(=O)OC1C2=CC=CC=C2C(=O)O1)O)N

InChI

InChI=1S/C16H21NO5S/c1-9(2)23-8-7-12(17)13(18)15(20)22-16-11-6-4-3-5-10(11)14(19)21-16/h3-6,9,12-13,16,18H,7-8,17H2,1-2H3/t12-,13+,16?/m1/s1