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CHEBI:224192 - Iheyamide B

ChEBI IDCHEBI:224192
ChEBI NameIheyamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H62N6O7
Net Charge0
Average Mass775.004
Monoisotopic Mass774.46800
SMILESCCC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N(C)C
InChIInChI=1S/C43H62N6O7/c1-9-29(4)37(42(54)49-25-17-23-34(49)43(55)56)47(8)40(52)33-22-16-24-48(33)41(53)36(28(2)3)46(7)39(51)32(26-30-18-12-10-13-19-30)44-38(50)35(45(5)6)27-31-20-14-11-15-21-31/h10-15,18-21,28-29,32-37H,9,16-17,22-27H2,1-8H3,(H,44,50)(H,55,56)/t29?,32-,33+,34+,35+,36+,37+/m1/s1
InChIKeyCZTIPXPWSQRPSH-DYPPZDDJSA-N
Species of MetaboliteComponentSourceComments
Dapis (ncbitaxon:2302373) - PubMed (32352773)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Iheyamide B (CHEBI:224192) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid