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Substance Name: Carbamic acid, (1-(((2-hydroxy-2-(13-(1-methylethyl)-12,15-dioxo-2,5,8-trioxa-11,14,17-triazabicyclo(1731)tricosa-1(23),19,21-trien-16-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (13S-(13R*,16S*(1R*(R*),2S*)))-
RN: 180968-39-2
InChIKey: ZPJNIOPWFOKSJR-LOFFRUMASA-N

Molecular Formula

  • C42-H57-N5-O9

Molecular Weight

  • 775.9383
 
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Names and Synonyms

  • (1'S,2'S,2''''S,11S,15R)-15-(2''''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-12-(1-methylethyl)-10,13,16-triaza-1,4,7-trioxa-11,14-dioxo(17)metacyclophane
  • Carbamic acid, (1-(((2-hydroxy-2-(13-(1-methylethyl)-12,15-dioxo-2,5,8-trioxa-11,14,17-triazabicyclo(1731)tricosa-1(23),19,21-trien-16-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (13S-(13R*,16S*(1R*(R*),2S*)))-

Registry Numbers

CAS Registry Number

  • 180968-39-2

System Generated Number

  • 0180968392

Structure Descriptors

InChI

1S/C42H57N5O9/c1-28(2)35-39(49)43-18-19-53-20-21-54-22-23-55-33-17-11-16-32(24-33)26-44-37(41(51)46-35)38(48)34(25-30-12-7-5-8-13-30)45-40(50)36(29(3)4)47-42(52)56-27-31-14-9-6-10-15-31/h5-17,24,28-29,34-38,44,48H,18-23,25-27H2,1-4H3,(H,43,49)(H,45,50)(H,46,51)(H,47,52)/t34-,35-,36-,37+,38+/m0/s1

InChIKey

ZPJNIOPWFOKSJR-LOFFRUMASA-N

Smiles

CC(C)[C@H]1C(=O)NCCOCCOCCOc2cccc(c2)CN[C@@H](C(=O)N1)[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4)O