CHEBI:162411 - Pro-Ile-Trp

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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 Pro-Ile-Trp
ChEBI ID CHEBI:162411
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30N4O4
Net Charge 0
Average Mass 414.506
Monoisotopic Mass 414.22671
InChI InChI=1S/C22H30N4O4/c1-3-13(2)19(26-20(27)17-9-6-10-23-17)21(28)25-18(22(29)30)11-14-12-24-16-8-5-4-7-15(14)16/h4-5,7-8,12-13,17-19,23-24H,3,6,9-11H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)/t13-,17-,18-,19-/m0/s1
InChIKey ZTMLZUNPFDGPKY-VKOGCVSHSA-N
SMILES O=C(N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@H]3NCCC3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Pro-Ile-Trp (CHEBI:162411) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-3-(1H-indol-3-yl)-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid