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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H39N5O8
Molecular Weight 585.6487
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-omadacycline

SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(CN(CC(C)(C)C)N=O)C(O)=C4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)N(C)C

InChI

InChIKey=JQPCWPJZNSRXSY-IQZGDKDPSA-N
InChI=1S/C29H39N5O8/c1-28(2,3)12-34(31-42)11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(37)20(27(30)40)26(39)29(16,41)25(38)18(13)23(36)19(15)22(14)35/h10,13,16,21,35,37-38,41H,8-9,11-12H2,1-7H3,(H2,30,40)/t13-,16-,21-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H39N5O8
Molecular Weight 585.6487
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:20:06 GMT 2025
Edited
by admin
on Wed Apr 02 18:20:06 GMT 2025
Record UNII
KEU26LY5F3
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-omadacycline
Preferred Name English
Code System Code Type Description
FDA UNII
KEU26LY5F3
Created by admin on Wed Apr 02 18:20:06 GMT 2025 , Edited by admin on Wed Apr 02 18:20:06 GMT 2025
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