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Details

Stereochemistry ABSOLUTE
Molecular Formula C81H82Cl4N8O30
Molecular Weight 1789.365
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARDACIN A

SMILES

[H][C@]%13(OC1=CC(O)=CC2=C1C3=C(O)C=CC(=C3)[C@H]4NC(=O)[C@@H]5NC(=O)[C@H]6NC(=O)[C@H](NC(=O)[C@H](NC)C7=CC=C(O)C(OC8=CC(O)=C(Cl)C6=C8)=C7)[C@H](O)C9=CC=C(OC%10=C(O[C@@H]%11O[C@@H]([C@@H](O)[C@H](O)[C@H]%11NC(=O)CCCCCCCCC)C(O)=O)C(OC%12=C(Cl)C=C(C=C%12Cl)[C@@H](O)[C@H](NC4=O)C(=O)N[C@@H]2C(O)=O)=CC5=C%10)C(Cl)=C9)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%13O

InChI

InChIKey=SFGRLMCXHBJMSU-PKMCQBQCSA-N
InChI=1S/C81H82Cl4N8O30/c1-3-4-5-6-7-8-9-10-51(99)87-61-65(103)67(105)71(79(115)116)123-80(61)122-70-48-22-32-23-49(70)119-69-40(83)19-33(20-41(69)84)63(101)60-77(112)91-58(78(113)114)37-24-34(95)25-47(120-81-68(106)66(104)64(102)50(28-94)121-81)52(37)36-17-29(11-14-42(36)96)55(73(108)93-60)88-74(109)56(32)89-75(110)57-38-26-35(27-44(98)53(38)85)117-46-21-30(12-15-43(46)97)54(86-2)72(107)92-59(76(111)90-57)62(100)31-13-16-45(118-48)39(82)18-31/h11-27,50,54-68,71,80-81,86,94-98,100-106H,3-10,28H2,1-2H3,(H,87,99)(H,88,109)(H,89,110)(H,90,111)(H,91,112)(H,92,107)(H,93,108)(H,113,114)(H,115,116)/t50-,54-,55-,56-,57+,58+,59-,60+,61-,62-,63-,64-,65-,66+,67+,68+,71+,80-,81+/m1/s1

HIDE SMILES / InChI

Molecular Formula C81H82Cl4N8O30
Molecular Weight 1789.365
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:41:00 GMT 2023
Edited
by admin
on Sat Dec 16 09:41:00 GMT 2023
Record UNII
572P13F83X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARDACIN A
Common Name English
RISTOMYCIN A AGLYCONE, 5,22,31,55-TETRACHLORO-7-DEMETHYL-64-O-DEMETHYL-56-O-(2-DEOXY-2-((1-OXODECYL)AMINO)-.BETA.-D-GLUCOPYRANURONOSYL)-42-O-.ALPHA.-D-MANNOPYRANOSYL-N15-METHYL-
Systematic Name English
ANTIBIOTIC AAD-216A
Common Name English
AAD-216A
Code English
ARIDICIN A
Common Name English
SK&F-100814A
Code English
Code System Code Type Description
CAS
95935-21-0
Created by admin on Sat Dec 16 09:41:00 GMT 2023 , Edited by admin on Sat Dec 16 09:41:00 GMT 2023
PRIMARY
FDA UNII
572P13F83X
Created by admin on Sat Dec 16 09:41:00 GMT 2023 , Edited by admin on Sat Dec 16 09:41:00 GMT 2023
PRIMARY
PUBCHEM
86278229
Created by admin on Sat Dec 16 09:41:00 GMT 2023 , Edited by admin on Sat Dec 16 09:41:00 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY