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Substance Name: WT-1 122 long
RN: 952720-86-4
UNII: 8ER98W0K2C
InChIKey: NEPOVVIIZSDRTL-XUVMKQETSA-N

Molecular Formula

  • C93-H135-N21-O29-S2

Molecular Weight

  • 2075.3395
 
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Names and Synonyms

Name of Substance

  • WT-1 122 long

Synonyms

  • UNII-8ER98W0K2C
  • WT-1 122 long

Registry Numbers

CAS Registry Number

  • 952720-86-4

FDA UNII

  • 8ER98W0K2C

System Generated Number

  • 0952720864

Structure Descriptors

InChI

1S/C93H135N21O29S2/c1-47(2)36-60(82(131)101-58(28-30-75(123)124)79(128)110-67(45-117)93(142)143)104-86(135)68(46-144)111-85(134)66(44-116)109-89(138)71-18-13-33-113(71)91(140)64(37-48(3)4)107-84(133)62(39-53-21-25-55(119)26-22-53)105-87(136)69-16-11-32-112(69)90(139)50(6)99-81(130)63(41-73(96)121)106-88(137)70-17-12-34-114(70)92(141)65(40-51-14-9-8-10-15-51)108-80(129)59(31-35-145-7)102-83(132)61(38-52-19-23-54(118)24-20-52)103-76(125)49(5)98-78(127)57(27-29-72(95)120)100-74(122)42-97-77(126)56(94)43-115/h8-10,14-15,19-26,47-50,56-71,115-119,144H,11-13,16-18,27-46,94H2,1-7H3,(H2,95,120)(H2,96,121)(H,97,126)(H,98,127)(H,99,130)(H,100,122)(H,101,131)(H,102,132)(H,103,125)(H,104,135)(H,105,136)(H,106,137)(H,107,133)(H,108,129)(H,109,138)(H,110,128)(H,111,134)(H,123,124)(H,142,143)/t49-,50-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-/m0/s1

InChIKey

NEPOVVIIZSDRTL-XUVMKQETSA-N

Smiles

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@@H](CC(C)C)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O