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Details

Stereochemistry ABSOLUTE
Molecular Formula C77H116N20O20
Molecular Weight 1641.8669
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [JMV-4168]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)CCNC(=O)CCNC(=O)CN5CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC5)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O

InChI

InChIKey=DUYDVTDLRCAQLV-ZWFMWSBHSA-N
InChI=1S/C77H116N20O20/c1-45(2)31-55(60(98)36-64(102)87-56(71(79)111)32-46(3)4)91-76(116)59(35-51-38-80-44-85-51)89-65(103)39-84-77(117)70(47(5)6)93-72(112)48(7)86-74(114)58(34-50-37-83-53-16-12-11-15-52(50)53)92-73(113)54(17-18-61(78)99)90-75(115)57(33-49-13-9-8-10-14-49)88-63(101)20-22-81-62(100)19-21-82-66(104)40-94-23-25-95(41-67(105)106)27-29-97(43-69(109)110)30-28-96(26-24-94)42-68(107)108/h8-16,37-38,44-48,54-60,70,83,98H,17-36,39-43H2,1-7H3,(H2,78,99)(H2,79,111)(H,80,85)(H,81,100)(H,82,104)(H,84,117)(H,86,114)(H,87,102)(H,88,101)(H,89,103)(H,90,115)(H,91,116)(H,92,113)(H,93,112)(H,105,106)(H,107,108)(H,109,110)/t48-,54-,55-,56-,57+,58-,59-,60-,70-/m0/s1

HIDE SMILES / InChI

Molecular Formula C77H116N20O20
Molecular Weight 1641.8669
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:50:40 GMT 2025
Edited
by admin
on Wed Apr 02 10:50:40 GMT 2025
Record UNII
H24D9A5F36
Record Status alternative
Record Version
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Primary Definition