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CHEBI:217402 - Heptavalinamide A

ChEBI IDCHEBI:217402
ChEBI NameHeptavalinamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H99N9O10
Net Charge0
Average Mass1082.483
Monoisotopic Mass1081.75149
SMILESCC(C)[C@@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)N(C)C
InChIInChI=1S/C58H99N9O10/c1-33(2)43(59(15)16)51(69)66(23)49(39(13)14)57(75)67-31-27-30-41(67)50(68)61(18)45(35(5)6)53(71)63(20)47(37(9)10)55(73)65(22)48(38(11)12)56(74)64(21)46(36(7)8)54(72)62(19)44(34(3)4)52(70)60(17)42(58(76)77)32-40-28-25-24-26-29-40/h24-26,28-29,33-39,41-49H,27,30-32H2,1-23H3,(H,76,77)/t41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChIKeyDPRGAQAMXDFJHM-IAUAMBRNSA-N
Species of MetaboliteComponentSourceComments
Symploca (ncbitaxon:105591) - PubMed (32022565)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Heptavalinamide A (CHEBI:217402) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-phenylpropanoic acid
Manual XrefsDatabases
81369075ChemSpider