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Substance Name: Carbamic acid, (5-((1-(((1H-benzimidazol-2-ylmethyl)amino)carbonyl)-2-methylbutyl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(1R*,2R*)))-
RN: 126409-81-2
InChIKey: BINCYFHKHSPQAO-QFWGAZQRSA-N

Molecular Formula

  • C38-H49-N5-O5

Molecular Weight

  • 655.8351
 
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Names and Synonyms

Synonyms

  • 6-Phenyl-5-(N-t-butyloxycarbonylamino)-4-hydroxy-2-benzyl-1-((2-(aminomethyl)benzimidazole)-isoleucyl)-hexanone
  • Boc-CH2Ph-Ile-AMBI

Systematic Name

  • Carbamic acid, (5-((1-(((1H-benzimidazol-2-ylmethyl)amino)carbonyl)-2-methylbutyl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(1R*,2R*)))-

Registry Numbers

CAS Registry Number

  • 126409-81-2

System Generated Number

  • 0126409812

Structure Descriptors

InChI

1S/C38H49N5O5/c1-6-25(2)34(36(46)39-24-33-40-29-19-13-14-20-30(29)41-33)43-35(45)28(21-26-15-9-7-10-16-26)23-32(44)31(22-27-17-11-8-12-18-27)42-37(47)48-38(3,4)5/h7-20,25,28,31-32,34,44H,6,21-24H2,1-5H3,(H,39,46)(H,40,41)(H,42,47)(H,43,45)/t25-,28+,31-,32-,34-/m0/s1

InChIKey

BINCYFHKHSPQAO-QFWGAZQRSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NCc1[nH]c2ccccc2n1)NC(=O)[C@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)O