tert-butyl (2R)-2-[(2-azanyl-4-phenylmethoxy-phenyl)sulfonyl-(2-bromoethyl)amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2R)-2-[(2-azanyl-4-phenylmethoxy-phenyl)sulfonyl-(2-bromoethyl)amino]-3-methyl-butanoate Openeye Name: tert-butyl (2R)-2-[(2-amino-4-benzyloxy-phenyl)sulfonyl-(2-bromoethyl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[(2-amino-4-phenylmethoxyphenyl)sulfonyl-(2-bromoethyl)amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(2-amino-4-phenylmethoxyphenyl)sulfonyl-(2-bromoethyl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(2-amino-4-benzoxy-phenyl)sulfonyl-(2-bromoethyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C24H33BrN2O5S MolecularWeight: 541.49822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)N(CCBr)S(=O)(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)[C@H](C(=O)OC(C)(C)C)N(CCBr)S(=O)(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)N

InChI

InChI=1S/C24H33BrN2O5S/c1-17(2)22(23(28)32-24(3,4)5)27(14-13-25)33(29,30)21-12-11-19(15-20(21)26)31-16-18-9-7-6-8-10-18/h6-12,15,17,22H,13-14,16,26H2,1-5H3/t22-/m1/s1