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Details

Stereochemistry EPIMERIC
Molecular Formula C89H99Cl2N9O33
Molecular Weight 1893.685
Optical Activity UNSPECIFIED
Defined Stereocenters 23 / 24
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEICOPLANIN A2-4

SMILES

[H][C@@]%14(O[C@H]1[C@@H]2NC(=O)[C@]([H])(NC(=O)[C@]3([H])NC(=O)[C@@]4([H])NC(=O)[C@@H](CC5=CC=C(OC6=C(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7NC(=O)CCCCCCC(C)CC)C(OC8=C(Cl)C=C1C=C8)=CC3=C6)C(Cl)=C5)NC(=O)[C@H](N)C9=CC(OC%10=CC4=CC(O)=C%10)=C(O)C=C9)C%11=CC(=C(O)C=C%11)C%12=C(C=C(O)C=C%12O[C@H]%13O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%13O)[C@H](NC2=O)C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%14NC(C)=O

InChI

InChIKey=KSPOYQQCANXEDC-WNTLLCOUSA-N
InChI=1S/C89H99Cl2N9O33/c1-4-34(2)9-7-5-6-8-10-61(109)95-69-75(114)72(111)59(32-102)130-88(69)133-79-56-26-41-27-57(79)127-53-18-14-39(24-48(53)91)78(132-87-68(93-35(3)104)74(113)71(110)58(31-101)129-87)70-85(122)99-67(86(123)124)46-29-43(106)30-55(128-89-77(116)76(115)73(112)60(33-103)131-89)62(46)45-23-38(13-15-50(45)107)64(82(119)100-70)97-84(121)66(41)98-83(120)65-40-21-42(105)28-44(22-40)125-54-25-37(12-16-51(54)108)63(92)81(118)94-49(80(117)96-65)20-36-11-17-52(126-56)47(90)19-36/h11-19,21-30,34,49,58-60,63-78,87-89,101-103,105-108,110-116H,4-10,20,31-33,92H2,1-3H3,(H,93,104)(H,94,118)(H,95,109)(H,96,117)(H,97,121)(H,98,120)(H,99,122)(H,100,119)(H,123,124)/t34?,49-,58-,59-,60-,63-,64-,65+,66-,67+,68-,69-,70+,71-,72-,73-,74-,75-,76+,77+,78-,87+,88+,89+/m1/s1

HIDE SMILES / InChI

Molecular Formula C89H99Cl2N9O33
Molecular Weight 1893.685
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 23 / 24
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:45:16 UTC 2023
Edited
by admin
on Fri Dec 15 19:45:16 UTC 2023
Record UNII
83Q83MG55O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEICOPLANIN A2-4
MI  
Common Name English
RISTOMYCIN A AGLYCONE, 34-O-(2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)-22,31-DICHLORO-7-DEMETHYL-64-O-DEMETHYL-19-DEOXY-56-O-(2-DEOXY-2-((8-METHYL-1-OXODECYL)AMINO)-.BETA.-D-GLUCOPYRANOSYL)-42-O-.ALPHA.-D-MANNOPYRANOSYL-
Common Name English
TEICOPLANIN A2-4 [MI]
Common Name English
Code System Code Type Description
FDA UNII
83Q83MG55O
Created by admin on Fri Dec 15 19:45:16 UTC 2023 , Edited by admin on Fri Dec 15 19:45:16 UTC 2023
PRIMARY
CHEBI
34997
Created by admin on Fri Dec 15 19:45:16 UTC 2023 , Edited by admin on Fri Dec 15 19:45:16 UTC 2023
PRIMARY
CAS
91032-37-0
Created by admin on Fri Dec 15 19:45:16 UTC 2023 , Edited by admin on Fri Dec 15 19:45:16 UTC 2023
PRIMARY
MERCK INDEX
m10525
Created by admin on Fri Dec 15 19:45:16 UTC 2023 , Edited by admin on Fri Dec 15 19:45:16 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL2105818
Created by admin on Fri Dec 15 19:45:16 UTC 2023 , Edited by admin on Fri Dec 15 19:45:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID50872355
Created by admin on Fri Dec 15 19:45:16 UTC 2023 , Edited by admin on Fri Dec 15 19:45:16 UTC 2023
PRIMARY
PUBCHEM
17748672
Created by admin on Fri Dec 15 19:45:16 UTC 2023 , Edited by admin on Fri Dec 15 19:45:16 UTC 2023
PRIMARY