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Details

Stereochemistry ABSOLUTE
Molecular Formula C88H97Cl2N9O33
Molecular Weight 1879.658
Optical Activity UNSPECIFIED
Defined Stereocenters 23 / 23
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEICOPLANIN A2-2

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)C)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=GHOXVFYORXUCPY-PKMGYIMSSA-N
InChI=1S/C88H97Cl2N9O33/c1-33(2)8-6-4-5-7-9-60(108)94-68-74(113)71(110)58(31-101)129-87(68)132-78-55-25-40-26-56(78)126-52-17-13-38(23-47(52)90)77(131-86-67(92-34(3)103)73(112)70(109)57(30-100)128-86)69-84(121)98-66(85(122)123)45-28-42(105)29-54(127-88-76(115)75(114)72(111)59(32-102)130-88)61(45)44-22-37(12-14-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-20-41(104)27-43(21-39)124-53-24-36(11-15-50(53)107)62(91)80(117)93-48(79(116)95-64)19-35-10-16-51(125-55)46(89)18-35/h10-18,20-29,33,48,57-59,62-77,86-88,100-102,104-107,109-115H,4-9,19,30-32,91H2,1-3H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1

HIDE SMILES / InChI

Molecular Formula C88H97Cl2N9O33
Molecular Weight 1879.658
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 23 / 23
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 02:47:52 UTC 2023
Edited
by admin
on Thu Jul 06 02:47:52 UTC 2023
Record UNII
9V7Z6HDK93
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEICOPLANIN A2-2
MI  
Common Name English
TEICOPLANIN A2-2 [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-OXONONYL)AMINO)-.BETA.-D-GLUCOPYRANOSYL)-42-O-.ALPHA.-D-MANNOPYRANOSYL-
Systematic Name English
Code System Code Type Description
CAS
91032-26-7
Created by admin on Thu Jul 06 02:47:52 UTC 2023 , Edited by admin on Thu Jul 06 02:47:52 UTC 2023
PRIMARY
PUBCHEM
16198036
Created by admin on Thu Jul 06 02:47:52 UTC 2023 , Edited by admin on Thu Jul 06 02:47:52 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105779
Created by admin on Thu Jul 06 02:47:52 UTC 2023 , Edited by admin on Thu Jul 06 02:47:52 UTC 2023
PRIMARY
MERCK INDEX
M10525
Created by admin on Thu Jul 06 02:47:52 UTC 2023 , Edited by admin on Thu Jul 06 02:47:52 UTC 2023
PRIMARY Merck Index
CHEBI
85251
Created by admin on Thu Jul 06 02:47:52 UTC 2023 , Edited by admin on Thu Jul 06 02:47:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID30872358
Created by admin on Thu Jul 06 02:47:52 UTC 2023 , Edited by admin on Thu Jul 06 02:47:52 UTC 2023
PRIMARY
FDA UNII
9V7Z6HDK93
Created by admin on Thu Jul 06 02:47:52 UTC 2023 , Edited by admin on Thu Jul 06 02:47:52 UTC 2023
PRIMARY