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CHEBI:224206 - Leucinostatin NPDG A

ChEBI IDCHEBI:224206
ChEBI NameLeucinostatin NPDG A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H109N11O12
Net Charge0
Average Mass1188.608
Monoisotopic Mass1187.82572
SMILESCCC(=O)CCC[C@@H](C)C[C@H](NC(=O)[C@@H]1C[C@H](C)CN1C(=O)/C=C/[C@@H](C)CC)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CNC)[C@H](O)C(C)C
InChIInChI=1S/C61H109N11O12/c1-20-38(9)25-26-48(75)72-34-40(11)32-46(72)54(80)66-45(31-39(10)23-22-24-42(73)21-2)52(78)68-49(50(76)37(7)8)55(81)70-60(15,16)57(83)67-43(29-35(3)4)51(77)65-44(30-36(5)6)53(79)69-61(17,18)58(84)71-59(13,14)56(82)63-28-27-47(74)64-41(12)33-62-19/h25-26,35-41,43-46,49-50,62,76H,20-24,27-34H2,1-19H3,(H,63,82)(H,64,74)(H,65,77)(H,66,80)(H,67,83)(H,68,78)(H,69,79)(H,70,81)(H,71,84)/b26-25+/t38-,39+,40-,41-,43-,44-,45-,46-,49-,50+/m0/s1
InChIKeySBNBGFXCBVRYJD-PWXAJYDPSA-N
Species of MetaboliteComponentSourceComments
Ophiocordyceps (ncbitaxon:474995) - PubMed (32510949)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Leucinostatin NPDG A (CHEBI:224206) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S,4S)-N-[(2S,4R)-1-[[(2S,3R)-3-hydroxy-4-methyl-1-[[2-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[2-methyl-1-[[2-methyl-1-[[3-[[(2S)-1-(methylamino)propan-2-yl]amino]-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-4-methyl-1-[(E,4S)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide