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Substance Name: Way 124466
RN: 149438-31-3
InChIKey: SGRPGPPHKBFMHF-FDSSHOOTSA-N

Note

  • A rapamycin analog that inhibits peptidyl prolyl cis-trans isomerase.

Molecular Formula

  • C59-H84-N4-O15

Molecular Weight

  • 1089.3256
 
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Names and Synonyms

Name of Substance

  • Way 124466

Synonym

  • Way 124,466

Systematic Name

  • 27,31-Epoxy-5,36-etheno-1H,5H-pyrido(2,1-c)(1,2,4)triazolo(1,2-q)(1,4,17,18)oxatriazacyclohentriacontine-1,3,9,15,19,25,26(2H,6H,10H,19aH)-heptone, 7,8,11,14,16,17,20,21,22,23,27,28,29,30,31,32,33,36-octadecahydro-11,27-dihydroxy-17-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethyl)-10,33-dimethoxy-6,8,12,14,28,34-hexamethyl-2-phenyl-

Registry Numbers

CAS Registry Number

  • 149438-31-3

System Generated Number

  • 0149438313

Structure Descriptors

InChI

1S/C59H84N4O15/c1-33-26-37(5)51(66)53(76-10)52(67)38(6)27-34(2)47(65)32-49(35(3)28-40-20-24-46(64)50(30-40)75-9)77-56(70)45-18-14-15-25-60(45)55(69)54(68)59(73)39(7)19-22-43(78-59)31-48(74-8)36(4)29-42-21-23-44(33)63-58(72)61(57(71)62(42)63)41-16-12-11-13-17-41/h11-18,21,23,25,33-40,42-46,48-50,52-53,64,67,73H,19-20,22,24,26-32H2,1-10H3/t33?,34?,35?,36?,37?,38?,39?,40-,42?,43?,44?,45?,46+,48?,49?,50+,52?,53?,59?/m0/s1

InChIKey

SGRPGPPHKBFMHF-FDSSHOOTSA-N

Smiles

CC1CCC2CC(C(CC3C=CC(C(CC(C(=O)C(C(C(CC(C(=O)CC(OC(=O)C4C=CC=CN4C(=O)C(=O)C1(O2)O)C(C)C[C@@H]5CC[C@H]([C@@H](C5)OC)O)C)C)O)OC)C)C)n6n3c(=O)n(c6=O)c7ccccc7)C)OC