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CHEBI:221365 - Mureidomycin B

ChEBI IDCHEBI:221365
ChEBI NameMureidomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H50N8O12S
Net Charge0
Average Mass842.929
Monoisotopic Mass842.32689
SMILESCSCC[C@H](NC(=O)NC(Cc1cccc(O)c1)C(=O)O)C(=O)N[C@@H](C(=O)N/C=C1\CC(O)C(N2CCC(=O)NC2=O)O1)C(C)N(C)C(=O)[C@@H](N)Cc1cccc(O)c1
InChIInChI=1S/C38H50N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-9,14-15,19-20,26-29,31,35,47-49H,10-13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/b25-19+/t20?,26-,27-,28?,29?,31+,35?/m0/s1
InChIKeyDXBJHRPKFQGVGZ-XGYRZULNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces flavidovirens (ncbitaxon:67298) - PubMed (2498274)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mureidomycin B (CHEBI:221365) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[(2S)-1-[[(2R)-3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(E)-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-4-methylsulanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid