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CHEBI:204482 - GE20372 B

ChEBI IDCHEBI:204482
ChEBI NameGE20372 B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H41N7O7
Net Charge0
Average Mass611.700
Monoisotopic Mass611.30675
SMILESCC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(=O)N[C@@H](C=O)Cc1ccccc1
InChIInChI=1S/C30H41N7O7/c1-18(2)25(27(41)34-21(17-38)15-19-7-4-3-5-8-19)37-26(40)23(9-6-14-33-29(31)32)35-30(44)36-24(28(42)43)16-20-10-12-22(39)13-11-20/h3-5,7-8,10-13,17-18,21,23-25,39H,6,9,14-16H2,1-2H3,(H,34,41)(H,37,40)(H,42,43)(H4,31,32,33)(H2,35,36,44)/t21-,23?,24?,25?/m1/s1
InChIKeyDYNPEHYVIZVLIF-GRUCGOEVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7775273)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
GE20372 B (CHEBI:204482) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[5-(diaminomethylideneamino)-1-[[3-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
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78445464ChemSpider