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Details

Stereochemistry ABSOLUTE
Molecular Formula C72H131N19O21
Molecular Weight 1598.9252
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [12-S-p21 RAS (5-21)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(O)=O

InChI

InChIKey=MVWNFKCNEATRQR-ARULTAPOSA-N
InChI=1S/C72H131N19O21/c1-18-40(14)57(72(111)112)90-71(110)58(43(17)94)91-64(103)46(27-34(2)3)83-60(99)42(16)80-66(105)49(33-93)85-62(101)45(24-20-22-26-74)81-50(95)29-77-67(106)53(36(6)7)86-52(97)31-76-59(98)41(15)79-65(104)48(32-92)82-51(96)30-78-68(107)54(37(8)9)88-70(109)56(39(12)13)89-69(108)55(38(10)11)87-63(102)47(28-35(4)5)84-61(100)44(75)23-19-21-25-73/h34-49,53-58,92-94H,18-33,73-75H2,1-17H3,(H,76,98)(H,77,106)(H,78,107)(H,79,104)(H,80,105)(H,81,95)(H,82,96)(H,83,99)(H,84,100)(H,85,101)(H,86,97)(H,87,102)(H,88,109)(H,89,108)(H,90,110)(H,91,103)(H,111,112)/t40-,41-,42-,43+,44-,45-,46-,47-,48-,49-,53-,54-,55-,56-,57-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula C72H131N19O21
Molecular Weight 1598.9252
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 20:32:43 GMT 2025
Edited
by admin
on Wed Apr 02 20:32:43 GMT 2025
Record UNII
XDJ47S9C9Q
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition