(2S,3S)-2-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(2-bromo-5-methoxy-benzoyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2-bromo-5-methoxyphenyl)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(2-bromo-5-methoxybenzoyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(2-bromo-5-methoxy-benzoyl)amino]-3-methyl-valerate Formula: C14H17BrNO4- MolecularWeight: 343.19308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1=C(C=CC(=C1)OC)Br

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1=C(C=CC(=C1)OC)Br

InChI

InChI=1S/C14H18BrNO4/c1-4-8(2)12(14(18)19)16-13(17)10-7-9(20-3)5-6-11(10)15/h5-8,12H,4H2,1-3H3,(H,16,17)(H,18,19)/p-1/t8-,12-/m0/s1