U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C87H95Cl2N9O33
Molecular Weight 1865.632
Optical Activity UNSPECIFIED
Defined Stereocenters 23 / 23
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Teicoplanin A2-1a

SMILES

CC(C)CCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC2=C3OC4=CC=C(C[C@H]5NC(=O)[C@H](N)C6=CC(OC7=CC(=CC(O)=C7)[C@H](NC5=O)C(=O)N[C@@H]8C(C=C2OC9=CC=C(C=C9Cl)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10NC(C)=O)[C@@H]%11NC(=O)[C@H](NC8=O)C%12=CC=C(O)C(=C%12)C%13=C(O[C@H]%14O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]%14O)C=C(O)C=C%13[C@H](NC%11=O)C(O)=O)=C3)=C(O)C=C6)C=C4Cl

InChI

InChIKey=WMZSHUVAWWVYQN-DPMIRKIQSA-N
InChI=1S/C87H95Cl2N9O33/c1-32(2)7-5-4-6-8-59(107)93-67-73(112)70(109)57(30-100)128-86(67)131-77-54-24-39-25-55(77)125-51-16-12-37(22-46(51)89)76(130-85-66(91-33(3)102)72(111)69(108)56(29-99)127-85)68-83(120)97-65(84(121)122)44-27-41(104)28-53(126-87-75(114)74(113)71(110)58(31-101)129-87)60(44)43-21-36(11-13-48(43)105)62(80(117)98-68)95-82(119)64(39)96-81(118)63-38-19-40(103)26-42(20-38)123-52-23-35(10-14-49(52)106)61(90)79(116)92-47(78(115)94-63)18-34-9-15-50(124-54)45(88)17-34/h9-17,19-28,32,47,56-58,61-76,85-87,99-101,103-106,108-114H,4-8,18,29-31,90H2,1-3H3,(H,91,102)(H,92,116)(H,93,107)(H,94,115)(H,95,119)(H,96,118)(H,97,120)(H,98,117)(H,121,122)/t47-,56-,57-,58-,61-,62-,63+,64-,65+,66-,67-,68+,69-,70-,71-,72-,73-,74+,75+,76-,85+,86+,87+/m1/s1

HIDE SMILES / InChI

Molecular Formula C87H95Cl2N9O33
Molecular Weight 1865.632
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 23 / 23
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:00:24 GMT 2025
Edited
by admin
on Wed Apr 02 18:00:24 GMT 2025
Record UNII
9AU8LAR9JZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Teicoplanin A2-1a
Preferred Name English
Code System Code Type Description
FDA UNII
9AU8LAR9JZ
Created by admin on Wed Apr 02 18:00:24 GMT 2025 , Edited by admin on Wed Apr 02 18:00:24 GMT 2025
PRIMARY
PUBCHEM
169490825
Created by admin on Wed Apr 02 18:00:24 GMT 2025 , Edited by admin on Wed Apr 02 18:00:24 GMT 2025
PRIMARY