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Substance Name: L-Histidinamide, N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl-N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-, (1S-(1R*,2S*,3S*,4S*(1R*,2R*)))-
RN: 107600-09-9
InChIKey: KSMBSRZMXQIWHU-GSJMOOKZSA-N

Molecular Formula

  • C44-H66-N8-O8

Molecular Weight

  • 835.0534
 
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Names and Synonyms

  • L-Histidinamide, N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl-N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-, (1S-(1R*,2S*,3S*,4S*(1R*,2R*)))-

Registry Numbers

CAS Registry Number

  • 107600-09-9

System Generated Number

  • 0107600099

Structure Descriptors

InChI

1S/C44H66N8O8/c1-10-28(6)36(42(58)47-24-30-18-14-15-19-46-30)52-41(57)35(27(4)5)38(54)37(53)32(20-26(2)3)49-40(56)34(22-31-23-45-25-48-31)50-39(55)33(21-29-16-12-11-13-17-29)51-43(59)60-44(7,8)9/h11-19,23,25-28,32-38,53-54H,10,20-22,24H2,1-9H3,(H,45,48)(H,47,58)(H,49,56)(H,50,55)(H,51,59)(H,52,57)/t28-,32-,33-,34-,35+,36-,37+,38+/m0/s1

InChIKey

KSMBSRZMXQIWHU-GSJMOOKZSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)O)C(C)C