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Substance Name: CRV-431
RN: 1383420-08-3
UNII: M3H4D91AY5
InChIKey: KBARHGHBFILILC-NGIJKBHDSA-N

Molecular Formula

  • C67-H122-N12-O13

Molecular Weight

  • 1303.7718
 
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Names and Synonyms

Name of Substance

  • CRV-431

Synonyms

  • CPI-431
  • CPI-431-32
  • CRV-431
  • CRV431
  • N-((7R,8R)-8-((2S,5S,8R,11S,14S,17S,20S,23R,26S,29S,32S)-5-Ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,8,10,16,20,23,25,28,31-decamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)-8-H
  • UNII-M3H4D91AY5

Registry Numbers

CAS Registry Number

  • 1383420-08-3

FDA UNII

  • M3H4D91AY5

System Generated Number

  • 1383420083

Structure Descriptors

InChI

1S/C67H122N12O13/c1-26-48-63(88)73(19)46(17)62(87)74(20)50(34-38(4)5)59(84)72-53(41(10)11)66(91)75(21)49(33-37(2)3)58(83)69-44(15)57(82)70-45(16)61(86)76(22)51(35-39(6)7)64(89)77(23)52(36-40(8)9)65(90)78(24)54(42(12)13)67(92)79(25)55(60(85)71-48)56(81)43(14)31-29-27-28-30-32-68-47(18)80/h37-46,48-56,81H,26-36H2,1-25H3,(H,68,80)(H,69,83)(H,70,82)(H,71,85)(H,72,84)/t43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1

InChIKey

KBARHGHBFILILC-NGIJKBHDSA-N

Smiles

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCCCCNC(=O)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C