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Details

Stereochemistry ABSOLUTE
Molecular Formula C82H139N35O24
Molecular Weight 1999.2012
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [WILMS TUMOR PROTEIN (361-375)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI

InChIKey=HKARFOJEAKKVDT-RKIMLIALSA-N
InChI=1S/C82H139N35O24/c1-41(2)33-53(71(134)107-45(15-6-7-27-83)64(127)105-48(18-10-30-100-80(91)92)67(130)114-55(35-43-37-97-40-103-43)73(136)109-50(22-24-59(85)120)69(132)111-52(77(140)141)20-12-32-102-82(95)96)112-70(133)51(23-25-60(86)121)110-74(137)56(36-62(124)125)115-76(139)58(39-119)116-68(131)49(19-11-31-101-81(93)94)108-75(138)57(38-118)117-72(135)54(34-42-13-4-3-5-14-42)113-66(129)47(17-9-29-99-79(89)90)106-65(128)46(16-8-28-98-78(87)88)104-63(126)44(84)21-26-61(122)123/h3-5,13-14,37,40-41,44-58,118-119H,6-12,15-36,38-39,83-84H2,1-2H3,(H2,85,120)(H2,86,121)(H,97,103)(H,104,126)(H,105,127)(H,106,128)(H,107,134)(H,108,138)(H,109,136)(H,110,137)(H,111,132)(H,112,133)(H,113,129)(H,114,130)(H,115,139)(H,116,131)(H,117,135)(H,122,123)(H,124,125)(H,140,141)(H4,87,88,98)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)/t44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula C82H139N35O24
Molecular Weight 1999.2012
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:06:06 GMT 2025
Edited
by admin
on Wed Apr 02 12:06:06 GMT 2025
Record UNII
9D6KWK2L6L
Record Status alternative
Record Version
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Primary Definition