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

Systemtic Name: tert-butyl (2R)-2-[(2-azanyl-4-phenylmethoxy-phenyl)sulfonyl-(2-bromoethyl)amino]-4-methyl-pentanoate Openeye Name: tert-butyl (2R)-2-[(2-amino-4-benzyloxy-phenyl)sulfonyl-(2-bromoethyl)amino]-4-methyl-pentanoate CAS Name: (2R)-2-[(2-amino-4-phenylmethoxyphenyl)sulfonyl-(2-bromoethyl)amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(2-amino-4-phenylmethoxyphenyl)sulfonyl-(2-bromoethyl)amino]-4-methylpentanoate Traditional Name: (2R)-2-[(2-amino-4-benzoxy-phenyl)sulfonyl-(2-bromoethyl)amino]-4-methyl-valeric acid tert-butyl ester Formula: C25H35BrN2O5S MolecularWeight: 555.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(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[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/C25H35BrN2O5S/c1-18(2)15-22(24(29)33-25(3,4)5)28(14-13-26)34(30,31)23-12-11-20(16-21(23)27)32-17-19-9-7-6-8-10-19/h6-12,16,18,22H,13-15,17,27H2,1-5H3/t22-/m1/s1