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

[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)CCCCCC(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=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

Approval Year

Name Type Language
Teicoplanin A2-1a
Common Name English
Code System Code Type Description
FDA UNII
9AU8LAR9JZ
Created by admin on Sat Dec 16 20:00:59 GMT 2023 , Edited by admin on Sat Dec 16 20:00:59 GMT 2023
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