CHEBI:159973 - Asn-Met-Ile

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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 Asn-Met-Ile
ChEBI ID CHEBI:159973
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H28N4O5S
Net Charge 0
Average Mass 376.470
Monoisotopic Mass 376.17804
InChI InChI=1S/C15H28N4O5S/c1-4-8(2)12(15(23)24)19-14(22)10(5-6-25-3)18-13(21)9(16)7-11(17)20/h8-10,12H,4-7,16H2,1-3H3,(H2,17,20)(H,18,21)(H,19,22)(H,23,24)/t8-,9-,10-,12-/m0/s1
InChIKey KSGAFDTYQPKUAP-GMOBBJLQSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H]([C@H](CC)C)C(O)=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 Asn-Met-Ile (CHEBI:159973) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-methylpentanoic acid