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Details

Stereochemistry EPIMERIC
Molecular Formula C80H121N15O18S
Molecular Weight 1612.971
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAP-18HR1

SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OC(C(=O)N4CCN(C)CC4)C5=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)CCN6C(=O)C=CC6=O)C(C)C)C=C5)C(C)C

InChI

InChIKey=DSTGGDWBMBQYPR-JXXJYWIPSA-N
InChI=1S/C80H121N15O18S/c1-15-52(8)69(60(109-13)48-65(100)94-36-20-24-59(94)70(110-14)53(9)72(101)87-58(76-83-35-46-114-76)47-54-21-17-16-18-22-54)91(11)77(105)67(50(4)5)89-75(104)68(51(6)7)92(12)80(108)113-71(78(106)93-40-38-90(10)39-41-93)55-25-27-56(28-26-55)85-73(102)57(23-19-33-84-79(81)107)86-74(103)66(49(2)3)88-62(97)32-42-111-44-45-112-43-34-82-61(96)31-37-95-63(98)29-30-64(95)99/h16-18,21-22,25-30,35,46,49-53,57-60,66-71H,15,19-20,23-24,31-34,36-45,47-48H2,1-14H3,(H,82,96)(H,85,102)(H,86,103)(H,87,101)(H,88,97)(H,89,104)(H3,81,84,107)/t52-,53+,57-,58-,59-,60+,66-,67-,68-,69-,70+,71?/m0/s1

HIDE SMILES / InChI

Molecular Formula C80H121N15O18S
Molecular Weight 1612.971
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 11 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 00:42:01 GMT 2025
Edited
by admin
on Wed Apr 02 00:42:01 GMT 2025
Record UNII
7TP8KY4IUV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAP-18HR1
Preferred Name English
Code System Code Type Description
CAS
1615234-84-8
Created by admin on Wed Apr 02 00:42:01 GMT 2025 , Edited by admin on Wed Apr 02 00:42:01 GMT 2025
PRIMARY
FDA UNII
7TP8KY4IUV
Created by admin on Wed Apr 02 00:42:01 GMT 2025 , Edited by admin on Wed Apr 02 00:42:01 GMT 2025
PRIMARY
PUBCHEM
89678632
Created by admin on Wed Apr 02 00:42:01 GMT 2025 , Edited by admin on Wed Apr 02 00:42:01 GMT 2025
PRIMARY