Chilenopeptin A (CHEBI:227622)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227622 - Chilenopeptin A

ChEBI ID	CHEBI:227622
ChEBI Name	Chilenopeptin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C80H124N18O19
Net Charge	0
Average Mass	1641.979
Monoisotopic Mass	1640.92901
SMILES	CC(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)Cc1ccccc1
InChI	InChI=1S/C80H124N18O19/c1-43(2)36-53(60(104)84-48(41-99)38-46-26-21-20-22-27-46)89-68(112)75(8,9)92-62(106)51(31-33-58(81)102)87-69(113)76(10,11)96-71(115)78(14,15)93-63(107)52(32-34-59(82)103)88-70(114)77(12,13)97-72(116)79(16,17)94-64(108)54(37-44(3)4)86-66(110)57-30-25-35-98(57)73(117)80(18,19)95-65(109)55(39-47-40-83-50-29-24-23-28-49(47)50)85-61(105)56(42-100)90-67(111)74(6,7)91-45(5)101/h20-24,26-29,40,43-44,48,51-57,83,99-100H,25,30-39,41-42H2,1-19H3,(H2,81,102)(H2,82,103)(H,84,104)(H,85,105)(H,86,110)(H,87,113)(H,88,114)(H,89,112)(H,90,111)(H,91,101)(H,92,106)(H,93,107)(H,94,108)(H,95,109)(H,96,115)(H,97,116)/t48-,51-,52-,53-,54-,55-,56-,57-/m0/s1
InChIKey	TUSWWJFRALTCTP-SLHOBPQGSA-N

Species of Metabolite	Component	Source	Comments
Sepedonium (ncbitaxon:74837)	-	PubMed (26953507)

Roles Classification

Chemical Role:

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Chilenopeptin A (CHEBI:227622) is a peptide (CHEBI:16670)

IUPAC Name
(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide

IUPAC Name

(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]pentanediamide

Manual Xrefs	Databases
58178387	ChemSpider