CHEBI:221010 - Nerfilin I

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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 Nerfilin I
ChEBI ID CHEBI:221010
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H37N3O5
Net Charge 0
Average Mass 495.620
Monoisotopic Mass 495.27332
InChI InChI=1S/C28H37N3O5/c1-18(2)14-25(34)30-24(16-21-10-12-23(33)13-11-21)27(35)31-26(19(3)4)28(36)29-22(17-32)15-20-8-6-5-7-9-20/h5-13,17-19,22,24,26,33H,14-16H2,1-4H3,(H,29,36)(H,30,34)(H,31,35)/t22-,24-,26-/m0/s1
InChIKey MWFNFXJJXCNWSP-GVUKDKGQSA-N
SMILES O=C(N[C@H](C=O)CC1=CC=CC=C1)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)CC2=CC=C(O)C=C2)C(C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 Nerfilin I (CHEBI:221010) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
Manual Xref Database
8116918 ChemSpider
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