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Details

Stereochemistry ABSOLUTE
Molecular Formula C75H111N19O21S3
Molecular Weight 1710.994
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [SURVIVIN (25-39)]

SMILES

CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CC4=CNC5=C4C=CC=C5)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=PWQVMZBDBZRTSC-RJROMQIDSA-N
InChI=1S/C75H111N19O21S3/c1-38(2)31-51(89-67(107)52(32-42-15-8-7-9-16-42)90-71(111)55-20-13-28-93(55)72(112)45(76)33-43-34-80-46-18-11-10-17-44(43)46)66(106)86-48(22-24-58(97)98)62(102)81-35-57(96)84-53(36-116)68(108)82-39(3)61(101)91-54(37-117)69(109)92-60(41(5)95)73(113)94-29-14-21-56(94)70(110)88-49(23-25-59(99)100)65(105)85-47(19-12-27-79-75(77)78)64(104)87-50(26-30-118-6)63(103)83-40(4)74(114)115/h7-11,15-18,34,38-41,45,47-56,60,80,95,116-117H,12-14,19-33,35-37,76H2,1-6H3,(H,81,102)(H,82,108)(H,83,103)(H,84,96)(H,85,105)(H,86,106)(H,87,104)(H,88,110)(H,89,107)(H,90,111)(H,91,101)(H,92,109)(H,97,98)(H,99,100)(H,114,115)(H4,77,78,79)/t39-,40-,41+,45-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1

HIDE SMILES / InChI

Molecular Formula C75H111N19O21S3
Molecular Weight 1710.994
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 12:09:34 GMT 2025
Edited
by admin
on Wed Apr 02 12:09:34 GMT 2025
Record UNII
6K9QSE6FR7
Record Status alternative
Record Version
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Primary Definition