Desvancosaminyl vancomycin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C59H62Cl2N8O22
Molecular Weight	1306.07
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC(Cl)=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]6C7=CC(=C(O)C=C7)C8=C(C=C(O)C=C8O)[C@H](NC(=O)[C@@H](NC6=O)[C@H](O)C9=CC(Cl)=C(O5)C=C9)C(O)=O)C=C2

InChI

InChIKey=QCHYVJAUGVHJHX-PZIRYZLHSA-N

InChI=1S/C59H62Cl2N8O22/c1-20(2)10-30(63-3)52(80)68-44-46(75)22-5-8-34(28(60)12-22)88-36-14-24-15-37(51(36)91-59-50(79)49(78)48(77)38(19-70)90-59)89-35-9-6-23(13-29(35)61)47(76)45-57(85)67-43(58(86)87)27-16-25(71)17-33(73)40(27)26-11-21(4-7-32(26)72)41(54(82)69-45)66-55(83)42(24)65-53(81)31(18-39(62)74)64-56(44)84/h4-9,11-17,20,30-31,38,41-50,59,63,70-73,75-79H,10,18-19H2,1-3H3,(H2,62,74)(H,64,84)(H,65,81)(H,66,83)(H,67,85)(H,68,80)(H,69,82)(H,86,87)/t30-,31+,38-,41-,42-,43+,44-,45+,46-,47-,48-,49+,50-,59+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C59H62Cl2N8O22
Molecular Weight	1306.07
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:46:30 GMT 2025` Edited by `admin` on `Wed Apr 02 18:46:30 GMT 2025`
Record UNII	43WYS9K792
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Desvancosaminyl vancomycin

Common Name

English

pseudo-Vancomycin

Preferred Name

English

Vancomycin, 2?-O-de(3-amino-2,3,6-trideoxy-3-C-methyl-?-L-lyxo-hexopyranosyl)-

Systematic Name

English

2?-O-De(3-amino-2,3,6-trideoxy-3-C-methyl-?-L-lyxo-hexopyranosyl)vancomycin

Systematic Name

English

Code System Code Type Description

CAS

101485-50-1

Created by admin on Wed Apr 02 18:46:30 GMT 2025 , Edited by admin on Wed Apr 02 18:46:30 GMT 2025

PRIMARY

FDA UNII

43WYS9K792

Created by admin on Wed Apr 02 18:46:30 GMT 2025 , Edited by admin on Wed Apr 02 18:46:30 GMT 2025

PRIMARY

EPA CompTox

DTXSID20747581

Created by admin on Wed Apr 02 18:46:30 GMT 2025 , Edited by admin on Wed Apr 02 18:46:30 GMT 2025

PRIMARY

PUBCHEM

447876

Created by admin on Wed Apr 02 18:46:30 GMT 2025 , Edited by admin on Wed Apr 02 18:46:30 GMT 2025

PRIMARY