CHEBI:203965 - Tyropeptin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tyropeptin B
ChEBI ID CHEBI:203965
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H37N3O6
Net Charge 0
Average Mass 511.619
Monoisotopic Mass 511.26824
InChI InChI=1S/C28H37N3O6/c1-4-5-26(35)30-25(16-20-8-12-23(34)13-9-20)28(37)31-24(14-18(2)3)27(36)29-21(17-32)15-19-6-10-22(33)11-7-19/h6-13,17-18,21,24-25,33-34H,4-5,14-16H2,1-3H3,(H,29,36)(H,30,35)(H,31,37)/t21?,24-,25-/m0/s1
InChIKey SYAOZPXWOOYNES-MHKYCTGGSA-N
SMILES O=C(N[C@H](C(=O)NC(C=O)CC1=CC=C(O)C=C1)CC(C)C)[C@@H](NC(=O)CCC)CC2=CC=C(O)C=C2
Metabolite of Species Details
Kitasatospora (NCBI:txid2063) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Tyropeptin B (CHEBI:203965) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-2-[[(2S)-2-(butanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-(4-hydroxyphenyl)-3-oxopropan-2-yl]-4-methylpentanamide
Manual Xref Database
9202817 ChemSpider
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