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Details

Stereochemistry ABSOLUTE
Molecular Formula C66H74Cl2N10O25
Molecular Weight 1478.252
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-vancomycin

SMILES

CC(C)C[C@@H](N(C)N=O)C(=O)N[C@@H]1[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@@H]7C8=CC=C(O)C(=C8)C9=C(O)C=C(O)C=C9[C@H](NC(=O)[C@@H](NC7=O)[C@H](O)C%10=CC=C(O6)C(Cl)=C%10)C(O)=O)C(Cl)=C2

InChI

InChIKey=BQBWVAVIAXHHCG-FHYUGYJVSA-N
InChI=1S/C66H74Cl2N10O25/c1-23(2)12-35(78(5)77-97)59(90)75-49-51(84)26-7-10-38(32(67)14-26)99-40-16-28-17-41(55(40)103-65-56(54(87)53(86)42(22-79)101-65)102-44-21-66(4,70)57(88)24(3)98-44)100-39-11-8-27(15-33(39)68)52(85)50-63(94)74-48(64(95)96)31-18-29(80)19-37(82)45(31)30-13-25(6-9-36(30)81)46(60(91)76-50)73-61(92)47(28)72-58(89)34(20-43(69)83)71-62(49)93/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,79-82,84-88H,12,20-22,70H2,1-5H3,(H2,69,83)(H,71,93)(H,72,89)(H,73,92)(H,74,94)(H,75,90)(H,76,91)(H,95,96)/t24-,34-,35+,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1

HIDE SMILES / InChI

Molecular Formula C66H74Cl2N10O25
Molecular Weight 1478.252
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 18 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:29:36 GMT 2025
Edited
by admin
on Wed Apr 02 18:29:36 GMT 2025
Record UNII
9AJC9QZ4AQ
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-vancomycin
Preferred Name English
Code System Code Type Description
PUBCHEM
101657966
Created by admin on Wed Apr 02 18:29:36 GMT 2025 , Edited by admin on Wed Apr 02 18:29:36 GMT 2025
PRIMARY
FDA UNII
9AJC9QZ4AQ
Created by admin on Wed Apr 02 18:29:36 GMT 2025 , Edited by admin on Wed Apr 02 18:29:36 GMT 2025
PRIMARY
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