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Details

Stereochemistry ABSOLUTE
Molecular Formula C81H114N18O26S2
Molecular Weight 1820.007
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [SURVIVIN (49-63)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=BMQAATBNMKGCAK-YAZHNQMASA-N
InChI=1S/C81H114N18O26S2/c1-42(2)34-52(92-76(119)57(39-66(108)109)96-79(122)60-23-15-33-99(60)80(123)50(26-30-64(104)105)89-75(118)56(38-62(85)101)91-68(111)47(83)24-29-63(102)103)71(114)86-43(3)67(110)87-49(25-28-61(84)100)70(113)97-58(40-126)77(120)95-54(36-45-18-9-5-10-19-45)73(116)93-55(37-46-20-11-6-12-21-46)74(117)98-59(41-127)78(121)94-53(35-44-16-7-4-8-17-44)72(115)88-48(22-13-14-32-82)69(112)90-51(81(124)125)27-31-65(106)107/h4-12,16-21,42-43,47-60,126-127H,13-15,22-41,82-83H2,1-3H3,(H2,84,100)(H2,85,101)(H,86,114)(H,87,110)(H,88,115)(H,89,118)(H,90,112)(H,91,111)(H,92,119)(H,93,116)(H,94,121)(H,95,120)(H,96,122)(H,97,113)(H,98,117)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,124,125)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1

HIDE SMILES / InChI

Molecular Formula C81H114N18O26S2
Molecular Weight 1820.007
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 10:31:25 GMT 2025
Edited
by admin
on Wed Apr 02 10:31:25 GMT 2025
Record UNII
TN8CQQ9ZMA
Record Status alternative
Record Version
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Primary Definition