(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-4-mesyl-butyric acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H22BrN3O6S MolecularWeight: 488.35278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H22BrN3O6S/c1-11(2)16-21-15(28-22-16)10-27-18(24)14(8-9-29(3,25)26)20-17(23)12-6-4-5-7-13(12)19/h4-7,11,14H,8-10H2,1-3H3,(H,20,23)/t14-/m0/s1