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Details

Stereochemistry ABSOLUTE
Molecular Formula C77H124N30O24S2
Molecular Weight 1918.125
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (429-443)]

SMILES

CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

InChI

InChIKey=GBLXCWIHVGBHFY-UXBXKJDZSA-N
InChI=1S/C77H124N30O24S2/c1-35(2)22-48(100-65(120)45(13-15-57(112)113)94-61(116)41(78)26-58(114)115)73(128)106-59(36(3)4)74(129)99-43(11-9-19-90-77(84)85)63(118)101-50(24-39-30-87-33-92-39)69(124)103-51(25-40-31-88-34-93-40)70(125)105-53(28-56(81)111)72(127)97-46(16-20-132-6)66(121)102-49(23-38-29-86-32-91-38)68(123)96-44(12-14-54(79)109)64(119)95-42(10-8-18-89-76(82)83)62(117)104-52(27-55(80)110)71(126)98-47(17-21-133-7)67(122)107-60(37(5)108)75(130)131/h29-37,41-53,59-60,108H,8-28,78H2,1-7H3,(H2,79,109)(H2,80,110)(H2,81,111)(H,86,91)(H,87,92)(H,88,93)(H,94,116)(H,95,119)(H,96,123)(H,97,127)(H,98,126)(H,99,129)(H,100,120)(H,101,118)(H,102,121)(H,103,124)(H,104,117)(H,105,125)(H,106,128)(H,107,122)(H,112,113)(H,114,115)(H,130,131)(H4,82,83,89)(H4,84,85,90)/t37-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,59+,60+/m1/s1

HIDE SMILES / InChI

Molecular Formula C77H124N30O24S2
Molecular Weight 1918.125
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:06:16 GMT 2025
Edited
by admin
on Wed Apr 02 12:06:16 GMT 2025
Record UNII
T7UZ9VP9UP
Record Status alternative
Record Version
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Primary Definition