CHEBI:201386 - Bilaid A1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Bilaid A1
ChEBI ID CHEBI:201386
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39N5O4
Net Charge 0
Average Mass 509.651
Monoisotopic Mass 509.30020
InChI InChI=1S/C28H39N5O4/c1-17(2)23(27(36)31-22(25(30)34)16-20-13-9-6-10-14-20)33-28(37)24(18(3)4)32-26(35)21(29)15-19-11-7-5-8-12-19/h5-14,17-18,21-24H,15-16,29H2,1-4H3,(H2,30,34)(H,31,36)(H,32,35)(H,33,37)
InChIKey HOANKSJQDQJAGG-UHFFFAOYSA-N
SMILES O=C(NC(C(=O)NC(C(=O)N)CC1=CC=CC=C1)C(C)C)C(NC(=O)C(N)CC2=CC=CC=C2)C(C)C
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 Bilaid A1 (CHEBI:201386) is a peptide (CHEBI:16670)
IUPAC Name
(2R)-N-[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanamide
Manual Xref Database
90606586 ChemSpider
View more database links