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Bottromycin-A2-derivative-MQZ

Sikandar A, Franz L, Adam S, Santos-Aberturas J, Horbal L, Luzhetskyy A, Truman AW, Kalinina OV, Koehnke J.

General

Type : Antibiotic, Propionate, Azabicyclo

Chemical_Nomenclature : methyl (3~{R})-3-[[(2~{S},3~{S})-2-[[(2~{S})-2-[(~{E})-[(6~{S},9~{S},12~{S},13~{R})-6-~{tert}-butyl-13-methyl-9-(2-methylsulfinylethyl)-2,8,11-tris(oxidanylidene)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-5-ylidene]amino]-3,3-dimethyl-butanoyl]amino]-3-phenyl-butanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate

Canonical SMILES : CC1CCN2C1C(=O)NC(C(=O)NC(C(=NCC2=O)NC(C(=O)NC(C(C)C3=CC=CC=C3)C(=O)NC(CC(=O)OC)C4=NC=CS4)C(C)(C)C)C(C)(C)C)CCS(=O)C

InChI : InChI=1S\/C42H62N8O8S2\/c1-24-16-19-50-29(51)23-44-35(33(41(3,4)5)49-36(53)27(17-21-60(10)57)45-38(55)32(24)50)48-34(42(6,7)8)39(56)47-31(25(2)26-14-12-11-13-15-26)37(54)46-28(22-30(52)58-9)40-43-18-20-59-40\/h11-15,18,20,24-25,27-28,31-34H,16-17,19,21-23H2,1-10H3,(H,44,48)(H,45,55)(H,46,54)(H,47,56)(H,49,53)\/t24-,25+,27+,28-,31+,32+,33-,34-,60?\/m1\/s1

InChIKey : KLEHJGAXZNKYKR-DXPHEUDUSA-N

Other name(s) : MQZ  ||  Bottromycin A2 derivative

MW : 871.12

Formula : C42H62N8O8S2

CAS_number :

PubChem : 146034911

UniChem : KLEHJGAXZNKYKR-DXPHEUDUSA-N

Target

Structures : 6T70

Families : BotH

References (1)

Title : The bottromycin epimerase BotH defines a group of atypical alpha\/beta-hydrolase-fold enzymes - Sikandar_2020_Nat.Chem.Biol_16_1013
Author(s) : Sikandar A , Franz L , Adam S , Santos-Aberturas J , Horbal L , Luzhetskyy A , Truman AW , Kalinina OV , Koehnke J
Ref : Nat Chemical Biology , 16 :1013 , 2020
Abstract :
PubMedSearch : Sikandar_2020_Nat.Chem.Biol_16_1013
PubMedID: 32601484
Gene_locus related to this paper: 9actn-k4mhv9