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CHEBI:224188 - Iheyamide A

ChEBI IDCHEBI:224188
ChEBI NameIheyamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H73N7O8
Net Charge0
Average Mass912.186
Monoisotopic Mass911.55206
SMILESCCC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N1C(=O)C=C(OC)[C@@H]1C(C)C)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/C51H73N7O8/c1-12-34(6)45(51(65)57-28-20-26-39(57)49(63)58-42(59)31-41(66-11)43(58)32(2)3)55(10)48(62)38-25-19-27-56(38)50(64)44(33(4)5)54(9)47(61)37(29-35-21-15-13-16-22-35)52-46(60)40(53(7)8)30-36-23-17-14-18-24-36/h13-18,21-24,31-34,37-40,43-45H,12,19-20,25-30H2,1-11H3,(H,52,60)/t34?,37-,38+,39+,40+,43+,44+,45+/m1/s1
InChIKeyRIAXHXFNIGMQKF-SAWFPNHISA-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 A (CHEBI:224188) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-methylamino]-3-methylbutanoyl]-N-[(2S)-1-[(2S)-2-[(2S)-3-methoxy-5-oxo-2-propan-2-yl-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-N-methylpyrrolidine-2-carboxamide