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Substance Name: Carbamic acid, (1-(((2-hydroxy-2-(10-(1-methylethyl)-9,12-dioxo-2,5-dioxa-8,11,14-triazabicyclo(1431)eicosa-1(20),16,18-trien-13-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (10S-(10R*,13S*(1R*(R*),2S*)))-
RN: 180968-23-4
InChIKey: QCOTVEZNURNOOS-YQYWCZHNSA-N

Molecular Formula

  • C40-H53-N5-O8

Molecular Weight

  • 731.8857
 
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Names and Synonyms

  • 1'S,2'S,2''''S,9S,12R)-12-(2''''-((N-((Benzyloxy)carbonyl)valyl)amino)-1'-hydroxy-3'-phenylprop-1'-yl)-9-(1-methylethyl)-7,10,13-triaza-1,4-dioxa-8,11-dioxo(14)metacyclophane
  • Carbamic acid, (1-(((2-hydroxy-2-(10-(1-methylethyl)-9,12-dioxo-2,5-dioxa-8,11,14-triazabicyclo(1431)eicosa-1(20),16,18-trien-13-yl)-1-(phenylmethyl)ethyl)amino)carbonyl)-2-methylpropyl)-, phenylmethyl ester, (10S-(10R*,13S*(1R*(R*),2S*)))-

Registry Numbers

CAS Registry Number

  • 180968-23-4

System Generated Number

  • 0180968234

Structure Descriptors

InChI

1S/C40H53N5O8/c1-26(2)33-37(47)41-18-19-51-20-21-52-31-17-11-16-30(22-31)24-42-35(39(49)44-33)36(46)32(23-28-12-7-5-8-13-28)43-38(48)34(27(3)4)45-40(50)53-25-29-14-9-6-10-15-29/h5-17,22,26-27,32-36,42,46H,18-21,23-25H2,1-4H3,(H,41,47)(H,43,48)(H,44,49)(H,45,50)/t32-,33-,34-,35+,36+/m0/s1

InChIKey

QCOTVEZNURNOOS-YQYWCZHNSA-N

Smiles

CC(C)[C@H]1C(=O)NCCOCCOc2cccc(c2)CN[C@@H](C(=O)N1)[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)OCc4ccccc4)O