O1-tert-butyl O6-methyl (2R)-2-[(2-azanyl-4-phenylmethoxy-phenyl)sulfonyl-(2-bromoethyl)amino]hexanedioate

Systemtic Name: O1-tert-butyl O6-methyl (2R)-2-[(2-azanyl-4-phenylmethoxy-phenyl)sulfonyl-(2-bromoethyl)amino]hexanedioate Openeye Name: O1-tert-butyl O6-methyl (2R)-2-[(2-amino-4-benzyloxy-phenyl)sulfonyl-(2-bromoethyl)amino]hexanedioate CAS Name: (2R)-2-[(2-amino-4-phenylmethoxyphenyl)sulfonyl-(2-bromoethyl)amino]hexanedioic acid O1-tert-butyl ester O6-methyl ester IUPAC Name: 1-O-tert-butyl 6-O-methyl (2R)-2-[(2-amino-4-phenylmethoxyphenyl)sulfonyl-(2-bromoethyl)amino]hexanedioate Traditional Name: (2R)-2-[(2-amino-4-benzoxy-phenyl)sulfonyl-(2-bromoethyl)amino]adipic acid O1-tert-butyl ester O6-methyl ester Formula: C26H35BrN2O7S MolecularWeight: 599.5343

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H35BrN2O7S/c1-26(2,3)36-25(31)22(11-8-12-24(30)34-4)29(16-15-27)37(32,33)23-14-13-20(17-21(23)28)35-18-19-9-6-5-7-10-19/h5-7,9-10,13-14,17,22H,8,11-12,15-16,18,28H2,1-4H3/t22-/m1/s1