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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H54N8O11S
Molecular Weight 806.926
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOTA-BIOTIN-SARCOSINE

SMILES

[H][C@]12CS[C@@H](CCCCC(=O)N(C)CC(=O)NC3=CC=C(C[C@H]4CN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN4CC(O)=O)C=C3)[C@@]1([H])NC(=O)N2

InChI

InChIKey=XNDGMGWABJHCRC-BGNUVLEZSA-N
InChI=1S/C36H54N8O11S/c1-40(30(46)5-3-2-4-28-35-27(23-56-28)38-36(55)39-35)18-29(45)37-25-8-6-24(7-9-25)16-26-17-43(21-33(51)52)13-12-41(19-31(47)48)10-11-42(20-32(49)50)14-15-44(26)22-34(53)54/h6-9,26-28,35H,2-5,10-23H2,1H3,(H,37,45)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H2,38,39,55)/t26-,27-,28-,35-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DOTA-BIOTIN-SARCOSINE
Common Name English
DOTA-BIOTIN-SARCOSINE (DOTA-BIOTIN)
Common Name English
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID, 2-((4-((((5-(HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOL-4-YL)-1-OXOPENTYL)METHYLAMINO)ACETYL)AMINO)PHENYL)METHYL)-, (3AS-(3A.ALPHA.,4.BETA.(R*),6A.ALPHA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
Q5296AP53J
Created by admin on Sat Dec 16 18:52:26 GMT 2023 , Edited by admin on Sat Dec 16 18:52:26 GMT 2023
PRIMARY
CAS
188428-79-7
Created by admin on Sat Dec 16 18:52:26 GMT 2023 , Edited by admin on Sat Dec 16 18:52:26 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
180978-54-5
Created by admin on Sat Dec 16 18:52:26 GMT 2023 , Edited by admin on Sat Dec 16 18:52:26 GMT 2023
PRIMARY
PUBCHEM
145708061
Created by admin on Sat Dec 16 18:52:26 GMT 2023 , Edited by admin on Sat Dec 16 18:52:26 GMT 2023
PRIMARY PUBCHEM