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Details

Stereochemistry MIXED
Molecular Formula C16H25AtB10N5O3S
Molecular Weight 686.564
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 8
E/Z Centers 0
Charge -2

SHOW SMILES / InChI
Structure of ASTATINE-211-B10-NCS-LYSINE

SMILES

N[C@@H](CCCCNC(=S)NC1=CC=C(CCNC(=O)N[B]234B[B]56[B]78B([211At])[B]29[B]3%10[B-]79[B]58[B-]46%10)C=C1)C(O)=O

InChI

InChIKey=XRGVPWOJPRELTJ-SPSBRTQWSA-N
InChI=1S/C16H25AtB10N5O3S/c17-19-21-20-18-27(22(19)24(21)23(20,21)25(20,27)26(22,24)27)32-15(35)29-10-8-11-4-6-12(7-5-11)31-16(36)30-9-2-1-3-13(28)14(33)34/h4-7,13,18H,1-3,8-10,28H2,(H,33,34)(H2,29,32,35)(H2,30,31,36)/q-2/t13-,24?,25?/m0/s1/i17+1

HIDE SMILES / InChI

Molecular Formula C16H25AtB10N5O3S
Molecular Weight 686.564
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:12:49 GMT 2023
Edited
by admin
on Sat Dec 16 16:12:49 GMT 2023
Record UNII
DBF3ZIA9IO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASTATINE-211-B10-NCS-LYSINE
Common Name English
ASTATINE-211-P-ISOTHIOCYANATO-PHENETHYL-CLOSO-DECABORATE-LYSINE
Common Name English
Code System Code Type Description
FDA UNII
DBF3ZIA9IO
Created by admin on Sat Dec 16 16:12:49 GMT 2023 , Edited by admin on Sat Dec 16 16:12:49 GMT 2023
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