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Details

Stereochemistry ABSOLUTE
Molecular Formula C68H106N11O15
Molecular Weight 1317.6339
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VEDOTIN FRAGMENT

SMILES

[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C2=CC=CC=C2)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN4C(=O)CC([He])C4=O)C(C)C)C=C3)C(C)C

InChI

InChIKey=ERROR

HIDE SMILES / InChI

Molecular Formula C68H106N11O15
Molecular Weight 1317.6339
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:59:17 UTC 2023
Edited
by admin
on Sat Dec 16 13:59:17 UTC 2023
Record UNII
Q3606FDE0B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VEDOTIN FRAGMENT
Common Name English
CONJUGATED FORM OF MC-VC-PAB-MMAE
Common Name English
VEDOTIN [USAN]
Common Name English
VEDOTIN (FRAGMENT)
Common Name English
VEDOTIN RADICAL
Common Name English
PAB-MMAE
Code English
VEDOTIN
USAN  
USAN  
Official Name English
Classification Tree Code System Code
NCI_THESAURUS C67422
Created by admin on Sat Dec 16 13:59:19 UTC 2023 , Edited by admin on Sat Dec 16 13:59:19 UTC 2023
Code System Code Type Description
FDA UNII
Q3606FDE0B
Created by admin on Sat Dec 16 13:59:19 UTC 2023 , Edited by admin on Sat Dec 16 13:59:19 UTC 2023
PRIMARY
NCI_THESAURUS
C152842
Created by admin on Sat Dec 16 13:59:19 UTC 2023 , Edited by admin on Sat Dec 16 13:59:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL2364667
Created by admin on Sat Dec 16 13:59:19 UTC 2023 , Edited by admin on Sat Dec 16 13:59:19 UTC 2023
PRIMARY
SMS_ID
300000044630
Created by admin on Sat Dec 16 13:59:19 UTC 2023 , Edited by admin on Sat Dec 16 13:59:19 UTC 2023
PRIMARY
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