Tyrostatin (CHEBI:212321)

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CHEBI:212321 - Tyrostatin

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ChEBI ID	CHEBI:212321
ChEBI Name	Tyrostatin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H39N3O6
Net Charge	0
Average Mass	525.646
Monoisotopic Mass	525.28389
SMILES	CC(C)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)Cc1ccc(O)cc1
InChI	InChI=1S/C29H39N3O6/c1-18(2)13-25(28(37)30-22(17-33)15-20-5-9-23(34)10-6-20)32-29(38)26(31-27(36)14-19(3)4)16-21-7-11-24(35)12-8-21/h5-12,17-19,22,25-26,34-35H,13-16H2,1-4H3,(H,30,37)(H,31,36)(H,32,38)/t22-,25-,26-/m0/s1
InChIKey	FWNXEHQYIWGYHB-HRNNMHKYSA-N

Species of Metabolite	Component	Source	Comments
Kitasatospora (ncbitaxon:2063)	-	DOI (10.1080/00021369.1989.10869302)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Tyrostatin (CHEBI:212321) is a dipeptide (CHEBI:46761)

IUPAC Name
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-N-[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanamide

Manual Xrefs	Databases
78438003	ChemSpider