tert-butyl (2S)-2-[[(2R)-2-[(4-bromophenyl)carbonylamino]-2-methyl-butanoyl]amino]-2-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2R)-2-[(4-bromophenyl)carbonylamino]-2-methyl-butanoyl]amino]-2-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(2R)-2-[(4-bromobenzoyl)amino]-2-methyl-butanoyl]amino]-2-methyl-butanoate CAS Name: (2S)-2-[[(2R)-2-[[(4-bromophenyl)-oxomethyl]amino]-2-methyl-1-oxobutyl]amino]-2-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R)-2-[(4-bromobenzoyl)amino]-2-methylbutanoyl]amino]-2-methylbutanoate Traditional Name: (2S)-2-[[(2R)-2-[(4-bromobenzoyl)amino]-2-methyl-butanoyl]amino]-2-methyl-butyric acid tert-butyl ester Formula: C21H31BrN2O4 MolecularWeight: 455.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31BrN2O4/c1-8-20(6,23-16(25)14-10-12-15(22)13-11-14)17(26)24-21(7,9-2)18(27)28-19(3,4)5/h10-13H,8-9H2,1-7H3,(H,23,25)(H,24,26)/t20-,21+/m1/s1