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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H72N2O15
Molecular Weight 893.0683
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 12ADT-ASP

SMILES

[H][C@@]12OC(=O)[C@@](C)(O)[C@@]1(O)[C@H](C[C@](C)(OC(C)=O)[C@@]3([H])[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)C(\C)=C/C)C(C)=C23)OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(O)=O

InChI

InChIKey=JFUXBZKLZFCZME-WFETZLHTSA-N
InChI=1S/C46H72N2O15/c1-8-10-11-17-20-24-35(52)60-39-37-36(29(4)38(39)61-42(55)28(3)9-2)40-46(58,45(7,57)43(56)62-40)32(27-44(37,6)63-30(5)49)59-34(51)23-21-18-15-13-12-14-16-19-22-25-48-33(50)26-31(47)41(53)54/h9,31-32,37-40,57-58H,8,10-27,47H2,1-7H3,(H,48,50)(H,53,54)/b28-9-/t31-,32-,37+,38-,39-,40-,44-,45+,46+/m0/s1

HIDE SMILES / InChI

Molecular Formula C46H72N2O15
Molecular Weight 893.0683
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:32:06 GMT 2023
Edited
by admin
on Fri Dec 15 16:32:06 GMT 2023
Record UNII
U4U7MXY86U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
12ADT-ASP
Common Name English
ASPARTYL-12ADT
Common Name English
Code System Code Type Description
CAS
1172636-20-2
Created by admin on Fri Dec 15 16:32:06 GMT 2023 , Edited by admin on Fri Dec 15 16:32:06 GMT 2023
PRIMARY
FDA UNII
U4U7MXY86U
Created by admin on Fri Dec 15 16:32:06 GMT 2023 , Edited by admin on Fri Dec 15 16:32:06 GMT 2023
PRIMARY
PUBCHEM
72941986
Created by admin on Fri Dec 15 16:32:06 GMT 2023 , Edited by admin on Fri Dec 15 16:32:06 GMT 2023
PRIMARY
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