CHEBI:131160 - (2S)-2-acetamido-4-methyl-N-[4-methyl-1-[[4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S)-2-acetamido-4-methyl-N-[4-methyl-1-[[4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
ChEBI ID CHEBI:131160
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H35N3O4S
Net Charge 0
Average Mass 401.566
Monoisotopic Mass 401.23483
InChI InChI=1S/C19H35N3O4S/c1-12(2)9-16(20-14(5)24)19(26)22-17(10-13(3)4)18(25)21-15(11-23)7-8-27-6/h11-13,15-17H,7-10H2,1-6H3,(H,20,24)(H,21,25)(H,22,26)/t15?,16-,17?/m0/s1
InChIKey RJWLAIMXRBDUMH-CGZBRXJRSA-N
SMILES CC(C)C[C@@H](C(=O)NC(CC(C)C)C(=O)NC(CCSC)C=O)NC(=O)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 (2S)-2-acetamido-4-methyl-N-[4-methyl-1-[[4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide (CHEBI:131160) is a peptide (CHEBI:16670)
Manual Xref Database
LSM-42756 LINCS
View more database links