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Details

Stereochemistry ABSOLUTE
Molecular Formula C73H89ClN10O26
Molecular Weight 1557.992
Optical Activity UNSPECIFIED
Defined Stereocenters 22 / 22
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ORIENTICIN A

SMILES

[H][C@@]1(NC(=O)[C@@H](CC(C)C)NC)[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)C6=CC(=C3)[C@@]([H])(NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@]7([H])C8=CC=C(O)C(=C8)C9=C(C=C(O)C=C9O)[C@H](NC(=O)[C@@]([H])(NC7=O)[C@H](O[C@H]%10C[C@](C)(N)[C@@H](O)[C@H](C)O%10)C%11=CC(Cl)=C(O6)C=C%11)C(O)=O)C=C2

InChI

InChIKey=BURNGCVAUVZERJ-BNSVOVDNSA-N
InChI=1S/C73H89ClN10O26/c1-27(2)16-39(78-7)64(95)83-54-56(90)30-8-12-35(13-9-30)105-44-19-33-20-45(60(44)110-71-61(58(92)57(91)46(26-85)107-71)109-49-25-73(6,77)63(94)29(4)104-49)106-43-15-11-32(18-38(43)74)59(108-48-24-72(5,76)62(93)28(3)103-48)55-69(100)82-53(70(101)102)37-21-34(86)22-42(88)50(37)36-17-31(10-14-41(36)87)51(66(97)84-55)81-67(98)52(33)80-65(96)40(23-47(75)89)79-68(54)99/h8-15,17-22,27-29,39-40,46,48-49,51-59,61-63,71,78,85-88,90-94H,16,23-26,76-77H2,1-7H3,(H2,75,89)(H,79,99)(H,80,96)(H,81,98)(H,82,100)(H,83,95)(H,84,97)(H,101,102)/t28-,29-,39+,40-,46+,48-,49-,51+,52+,53-,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1

HIDE SMILES / InChI

Molecular Formula C73H89ClN10O26
Molecular Weight 1557.992
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 22 / 22
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:39:55 UTC 2023
Edited
by admin
on Sat Dec 16 09:39:55 UTC 2023
Record UNII
64N95C5MAO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ORIENTICIN A
Common Name English
UK-72051
Code English
ORIENTICINE A
Common Name English
ANTIBIOTIC UK-72051
Code English
ANTIBIOTIC PA-42867A
Code English
VANCOMYCIN, 22-O-(3-AMINO-2,3,6-TRIDEOXY-3-C-METHYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)-10-DECHLORO-, (4''R)-
Common Name English
Code System Code Type Description
CAS
111073-20-2
Created by admin on Sat Dec 16 09:39:55 UTC 2023 , Edited by admin on Sat Dec 16 09:39:55 UTC 2023
PRIMARY
FDA UNII
64N95C5MAO
Created by admin on Sat Dec 16 09:39:55 UTC 2023 , Edited by admin on Sat Dec 16 09:39:55 UTC 2023
PRIMARY
PUBCHEM
20055349
Created by admin on Sat Dec 16 09:39:55 UTC 2023 , Edited by admin on Sat Dec 16 09:39:55 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY