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Details

Stereochemistry ABSOLUTE
Molecular Formula C75H121N19O18S2
Molecular Weight 1641.01
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (77-91)]

SMILES

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC4=CNC=N4)C(O)=O

InChI

InChIKey=MYAWLLAIHYHHEC-MXIQDXOUSA-N
InChI=1S/C75H121N19O18S2/c1-40(2)30-51(87-71(107)57-22-17-28-94(57)74(110)54(32-42(5)6)89-70(106)56(38-113)91-73(109)62(44(9)95)93-69(105)53(33-45-18-12-11-13-19-45)86-65(101)47-21-16-27-79-47)64(100)81-37-60(98)92-61(43(7)8)72(108)88-52(31-41(3)4)68(104)85-50(25-29-114-10)67(103)84-48(20-14-15-26-76)63(99)80-36-59(97)83-49(23-24-58(77)96)66(102)90-55(75(111)112)34-46-35-78-39-82-46/h11-13,18-19,35,39-44,47-57,61-62,79,95,113H,14-17,20-34,36-38,76H2,1-10H3,(H2,77,96)(H,78,82)(H,80,99)(H,81,100)(H,83,97)(H,84,103)(H,85,104)(H,86,101)(H,87,107)(H,88,108)(H,89,106)(H,90,102)(H,91,109)(H,92,98)(H,93,105)(H,111,112)/t44-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,61+,62+/m1/s1

HIDE SMILES / InChI

Molecular Formula C75H121N19O18S2
Molecular Weight 1641.01
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:26:14 GMT 2025
Edited
by admin
on Wed Apr 02 13:26:14 GMT 2025
Record UNII
HU782FYK7W
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition