CHEBI:158817 - Ile-Trp-Cys

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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 Ile-Trp-Cys
ChEBI ID CHEBI:158817
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28N4O4S
Net Charge 0
Average Mass 420.530
Monoisotopic Mass 420.18313
InChI InChI=1S/C20H28N4O4S/c1-3-11(2)17(21)19(26)23-15(18(25)24-16(10-29)20(27)28)8-12-9-22-14-7-5-4-6-13(12)14/h4-7,9,11,15-17,22,29H,3,8,10,21H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t11-,15-,16-,17-/m0/s1
InChIKey CZOAJJGXTGUYOJ-SPOWBLRKSA-N
SMILES SC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](CC)C)CC=1C=2C(NC1)=CC=CC2)C(O)=O
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 Ile-Trp-Cys (CHEBI:158817) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoic acid