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CHEBI:222371 - RPI-856 A/B

ChEBI IDCHEBI:222371
ChEBI NameRPI-856 A/B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H61N7O13
Net Charge0
Average Mass883.997
Monoisotopic Mass883.43274
SMILESCC(C)C[C@H](NC(=O)C(NC(=O)[C@@H](N)C(C)C)c1cc(O)cc(O)c1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C
InChIInChI=1S/C43H61N7O13/c1-20(2)14-29(46-41(60)35(50-38(57)32(44)21(3)4)25-16-26(51)18-27(52)17-25)37(56)45-28(15-24-12-10-9-11-13-24)36(55)42(61)49-34(23(7)8)40(59)48-33(22(5)6)39(58)47-30(43(62)63)19-31(53)54/h9-13,16-18,20-23,28-30,32-35,51-52H,14-15,19,44H2,1-8H3,(H,45,56)(H,46,60)(H,47,58)(H,48,59)(H,49,61)(H,50,57)(H,53,54)(H,62,63)/t28?,29-,30-,32-,33-,34-,35?/m0/s1
InChIKeyFXQIFOQIICEJDA-TWXSNOTASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8040053)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
RPI-856 A/B (CHEBI:222371) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-[[3-[[(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-4-methylpentanoyl]amino]-2-oxo-4-phenylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
Manual XrefsDatabases
78436177ChemSpider