methyl (2S,3R)-3-azanyl-8-methylsulfonyloxy-2-phenyl-octanoate

Systemtic Name: methyl (2S,3R)-3-azanyl-8-methylsulfonyloxy-2-phenyl-octanoate Openeye Name: methyl (2S,3R)-3-amino-8-methylsulfonyloxy-2-phenyl-octanoate CAS Name: (2S,3R)-3-amino-8-methylsulfonyloxy-2-phenyloctanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-amino-8-methylsulfonyloxy-2-phenyloctanoate Traditional Name: (2S,3R)-3-amino-8-methylsulfonyloxy-2-phenyl-caprylic acid methyl ester Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)C(CCCCCOS(=O)(=O)C)N

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)[C@@H](CCCCCOS(=O)(=O)C)N

InChI

InChI=1S/C16H25NO5S/c1-21-16(18)15(13-9-5-3-6-10-13)14(17)11-7-4-8-12-22-23(2,19)20/h3,5-6,9-10,14-15H,4,7-8,11-12,17H2,1-2H3/t14-,15+/m1/s1