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Bottromycin-A2

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

General

Type : Antibiotic, Propionate, tert-Butyl, Azabicyclo

Chemical_Nomenclature : methyl 3-[[2-[[2-[(6-tert-butyl-13-methyl-2,8,11-trioxo-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl)amino]-3,3-dimethylbutanoyl]amino]-3-phenylbutanoyl]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)C(C)C

InChI : InChI=1S\/C42H62N8O7S\/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40\/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)\/t24-,25+,27-,30+,31+,32+,33-,34-\/m1\/s1

InChIKey : KSIZLOPUXFSFNR-XZNJZDOZSA-N || KSIZLOPUXFSFNR-UHFFFAOYSA-N

Other name(s) : MQH  ||  Bottromycin  ||  Bottromycin A(2)  ||  SCHEMBL9753994  ||  Bottromycic A2 acid, methyl ester

MW : 823.06

Formula : C42H62N8O7S

CAS_number :

PubChem : 3081434

UniChem : KSIZLOPUXFSFNR-XZNJZDOZSA-N,    KSIZLOPUXFSFNR-UHFFFAOYSA-N

Target

Structures : 6T6Y

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