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Substance Name: Sdz 280 446
RN: 129893-84-1
InChIKey: UGWMRFXIOXUDPM-XMKIREDBSA-N

Note

  • A potent P-glycoprotein inhibitor; empirical formula C61H99N9O14, MW 1182.6.

Molecular Formula

  • C61-H99-N9-O14

Molecular Weight

  • 1182.5
 
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Names and Synonyms

Name of Substance

  • Sdz 280 446

Synonyms

  • Cyclo-(pec1-meval2-val3-(O-t-Bu-measp4)-melle5-melle6-gly7-meval8-(O-Me-tyr)-L-hpa10)
  • Sdz 280-446

Systematic Name

  • L-Tyrosine, N-(N-(N-(N-(N-(N-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N-methyl-L-alpha-aspartyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, 4-(1,1-dimethylethyl) ester, delta1-lactone, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 129893-84-1

System Generated Number

  • 0129893841

Structure Descriptors

InChI

1S/C61H99N9O14/c1-21-37(9)50-52(73)62-33-45(71)66(16)48(35(5)6)53(74)63-42(31-40-26-28-41(82-20)29-27-40)60(81)83-39(11)55(76)70-30-24-23-25-43(70)56(77)67(17)49(36(7)8)54(75)64-47(34(3)4)58(79)65(15)44(32-46(72)84-61(12,13)14)57(78)69(19)51(38(10)22-2)59(80)68(50)18/h26-29,34-39,42-44,47-51H,21-25,30-33H2,1-20H3,(H,62,73)(H,63,74)(H,64,75)/t37-,38-,39-,42-,43-,44-,47-,48-,49-,50-,51?/m0/s1

InChIKey

UGWMRFXIOXUDPM-XMKIREDBSA-N

Smiles

N12CCCC[C@H]2C(N(C)[C@H](C(N[C@@H](C(N(C)[C@H](C(=O)N(C)[C@@H]([C@H](CC)C)C(=O)N(C)[C@@H]([C@H](CC)C)C(=O)NCC(N([C@H](C(N[C@H](C(O[C@H](C1=O)C)=O)Cc1ccc(cc1)OC)=O)C(C)C)C)=O)CC(OC(C)(C)C)=O)=O)C(C)C)=O)C(C)C)=O