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

Details

Stereochemistry ABSOLUTE
Molecular Formula C73H88Cl2N10O26
Molecular Weight 1592.437
Optical Activity UNSPECIFIED
Defined Stereocenters 22 / 22
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROEREMOMYCIN

SMILES

[H][C@]12NC(=O)[C@]([H])(NC(=O)[C@]3([H])NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC)[C@H](O)C4=CC=C(OC5=C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@H]7C[C@](C)(N)[C@@H](O)[C@H](C)O7)C(OC8=CC=C(C=C8Cl)[C@H]1O[C@H]9C[C@](C)(N)[C@@H](O)[C@H](C)O9)=CC3=C5)C(Cl)=C4)C%10=CC=C(O)C(=C%10)C%11=C(O)C=C(O)C=C%11[C@H](NC2=O)C(O)=O

InChI

InChIKey=XJHXLMVKYIVZTE-LOALFDMRSA-N
InChI=1S/C73H88Cl2N10O26/c1-26(2)14-38(79-7)64(96)84-54-56(91)30-9-12-42(36(74)16-30)106-44-18-32-19-45(60(44)111-71-61(58(93)57(92)46(25-86)108-71)110-49-24-73(6,78)63(95)28(4)105-49)107-43-13-10-31(17-37(43)75)59(109-48-23-72(5,77)62(94)27(3)104-48)55-69(101)83-53(70(102)103)35-20-33(87)21-41(89)50(35)34-15-29(8-11-40(34)88)51(66(98)85-55)82-67(99)52(32)81-65(97)39(22-47(76)90)80-68(54)100/h8-13,15-21,26-28,38-39,46,48-49,51-59,61-63,71,79,86-89,91-95H,14,22-25,77-78H2,1-7H3,(H2,76,90)(H,80,100)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,98)(H,102,103)/t27-,28-,38+,39-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CHLOROEREMOMYCIN
Common Name English
VANCOMYCIN, 22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)-, (4''R)-
Systematic Name English
(4''R)-22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)VANCOMYCIN
Systematic Name English
LY-264826
Code English
PA-45052A
Code English
A-82846B
Code English
Code System Code Type Description
FDA UNII
X47SLZ2K7D
Created by admin on Sat Dec 16 16:59:38 GMT 2023 , Edited by admin on Sat Dec 16 16:59:38 GMT 2023
PRIMARY
PUBCHEM
445806
Created by admin on Sat Dec 16 16:59:38 GMT 2023 , Edited by admin on Sat Dec 16 16:59:38 GMT 2023
PRIMARY
CHEBI
85488
Created by admin on Sat Dec 16 16:59:38 GMT 2023 , Edited by admin on Sat Dec 16 16:59:38 GMT 2023
PRIMARY
CAS
118395-73-6
Created by admin on Sat Dec 16 16:59:38 GMT 2023 , Edited by admin on Sat Dec 16 16:59:38 GMT 2023
PRIMARY
WIKIPEDIA
Chloroeremomycin
Created by admin on Sat Dec 16 16:59:38 GMT 2023 , Edited by admin on Sat Dec 16 16:59:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID401316793
Created by admin on Sat Dec 16 16:59:38 GMT 2023 , Edited by admin on Sat Dec 16 16:59:38 GMT 2023
PRIMARY