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CHEBI:214553 - Brintonamide C

ChEBI IDCHEBI:214553
ChEBI NameBrintonamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H73N7O10
Net Charge0
Average Mass932.173
Monoisotopic Mass931.54189
SMILESCC[C@H](C)[C@@H](OC(=O)[C@H](Cc1ccccc1)N(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C50H73N7O10/c1-11-33(4)43(67-50(65)41(53(6)7)30-36-22-16-13-17-23-36)48(63)56-26-18-24-37(56)44(59)51-31-42(58)54(8)39(28-32(2)3)45(60)52-34(5)46(61)55(9)40(29-35-20-14-12-15-21-35)47(62)57-27-19-25-38(57)49(64)66-10/h12-17,20-23,32-34,37-41,43H,11,18-19,24-31H2,1-10H3,(H,51,59)(H,52,60)/t33-,34-,37-,38-,39-,40+,41-,43+/m0/s1
InChIKeyYUUZXYIURFEAIK-WJUYPRDGSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Brintonamide C (CHEBI:214553) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2R,3S)-2-[(2S)-2-(dimethylamino)-3-phenylpropanoyl]oxy-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]-methylamino]-4-methylpentanoyl]amino]propanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
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