(2S,3S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[(4-bromobenzoyl)amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[(4-bromobenzoyl)amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[(4-bromobenzoyl)amino]-3-methyl-valeric acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3/c1-3-8(2)11(13(17)18)15-12(16)9-4-6-10(14)7-5-9/h4-8,11H,3H2,1-2H3,(H,15,16)(H,17,18)/t8-,11-/m0/s1