O1-tert-butyl O5-methyl (2R)-2-[(2-azanyl-4-phenylmethoxy-phenyl)sulfonyl-(2-bromoethyl)amino]pentanedioate

Systemtic Name: O1-tert-butyl O5-methyl (2R)-2-[(2-azanyl-4-phenylmethoxy-phenyl)sulfonyl-(2-bromoethyl)amino]pentanedioate Openeye Name: O1-tert-butyl O5-methyl (2R)-2-[(2-amino-4-benzyloxy-phenyl)sulfonyl-(2-bromoethyl)amino]pentanedioate CAS Name: (2R)-2-[(2-amino-4-phenylmethoxyphenyl)sulfonyl-(2-bromoethyl)amino]pentanedioic acid O1-tert-butyl ester O5-methyl ester IUPAC Name: 1-O-tert-butyl 5-O-methyl (2R)-2-[(2-amino-4-phenylmethoxyphenyl)sulfonyl-(2-bromoethyl)amino]pentanedioate Traditional Name: (2R)-2-[(2-amino-4-benzoxy-phenyl)sulfonyl-(2-bromoethyl)amino]glutaric acid O1-tert-butyl ester O5-methyl ester Formula: C25H33BrN2O7S MolecularWeight: 585.50772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN2O7S/c1-25(2,3)35-24(30)21(11-13-23(29)33-4)28(15-14-26)36(31,32)22-12-10-19(16-20(22)27)34-17-18-8-6-5-7-9-18/h5-10,12,16,21H,11,13-15,17,27H2,1-4H3/t21-/m1/s1