U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C47H82N6O12
Molecular Weight 923.187
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Opadotin

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](CC2=CC=CC=C2)C(O)=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCOCCOCCOCCON)C(C)C

InChI

InChIKey=OJYZGXVPCDZLCK-KVEFUIBJSA-N
InChI=1S/C47H82N6O12/c1-12-33(6)42(52(9)46(57)40(31(2)3)50-45(56)41(32(4)5)51(8)21-22-62-23-24-63-25-26-64-27-28-65-48)38(60-10)30-39(54)53-20-16-19-37(53)43(61-11)34(7)44(55)49-36(47(58)59)29-35-17-14-13-15-18-35/h13-15,17-18,31-34,36-38,40-43H,12,16,19-30,48H2,1-11H3,(H,49,55)(H,50,56)(H,58,59)/t33-,34+,36-,37-,38+,40-,41-,42-,43+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Opadotin
USAN  
Official Name English
AMBERSTATIN
Brand Name English
L-Phenylalanine, N-[2-[2-[2-[2-(aminooxy)ethoxy]ethoxy]ethoxy]ethyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-
Systematic Name English
AS-269
Code English
AS269
Code English
((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((S)-14-(aminooxy)-2-isopropyl-3-methyl-6,9,12-trioxa-3-azatetradecanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)-L-phenylalanine
Systematic Name English
OPADOTIN [USAN]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C199083
Created by admin on Sat Dec 16 14:19:53 GMT 2023 , Edited by admin on Sat Dec 16 14:19:53 GMT 2023
PRIMARY
USAN
KL-239
Created by admin on Sat Dec 16 14:19:53 GMT 2023 , Edited by admin on Sat Dec 16 14:19:53 GMT 2023
PRIMARY
PUBCHEM
89283237
Created by admin on Sat Dec 16 14:19:53 GMT 2023 , Edited by admin on Sat Dec 16 14:19:53 GMT 2023
PRIMARY
FDA UNII
D5J6JHG50S
Created by admin on Sat Dec 16 14:19:53 GMT 2023 , Edited by admin on Sat Dec 16 14:19:53 GMT 2023
PRIMARY
CAS
1415246-35-3
Created by admin on Sat Dec 16 14:19:53 GMT 2023 , Edited by admin on Sat Dec 16 14:19:53 GMT 2023
PRIMARY