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CHEBI:221378 - Mureidomycin D

ChEBI IDCHEBI:221378
ChEBI NameMureidomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H53N9O13S
Net Charge0
Average Mass899.981
Monoisotopic Mass899.34835
SMILESCSCC[C@H](NC(=O)NC(Cc1cccc(O)c1)C(=O)O)C(=O)N[C@@H](C(=O)NC=C1CC(O)C(N2CCC(=O)NC2=O)O1)C(C)N(C)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)CN
InChIInChI=1S/C40H53N9O13S/c1-21(48(2)36(57)28(43-32(54)19-41)16-22-6-4-8-24(50)14-22)33(35(56)42-20-26-18-30(52)37(62-26)49-12-10-31(53)46-40(49)61)47-34(55)27(11-13-63-3)44-39(60)45-29(38(58)59)17-23-7-5-9-25(51)15-23/h4-9,14-15,20-21,27-30,33,37,50-52H,10-13,16-19,41H2,1-3H3,(H,42,56)(H,43,54)(H,47,55)(H,58,59)(H2,44,45,60)(H,46,53,61)/t21?,27-,28-,29?,30?,33+,37?/m0/s1
InChIKeyHVIYMDRGURCMHG-JHYHWTEUSA-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 D (CHEBI:221378) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[(2S)-1-[[(2R)-3-[[(2S)-2-[(2-aminoacetyl)amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxyoxolan-2-ylidene]methylamino]-1-oxobutan-2-yl]amino]-4-methylsulanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid