CHEBI:160191 - Asn-Trp-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 Asn-Trp-Trp
ChEBI ID CHEBI:160191
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28N6O5
Net Charge 0
Average Mass 504.547
Monoisotopic Mass 504.21212
InChI InChI=1S/C26H28N6O5/c27-18(11-23(28)33)24(34)31-21(9-14-12-29-19-7-3-1-5-16(14)19)25(35)32-22(26(36)37)10-15-13-30-20-8-4-2-6-17(15)20/h1-8,12-13,18,21-22,29-30H,9-11,27H2,(H2,28,33)(H,31,34)(H,32,35)(H,36,37)/t18-,21-,22-/m0/s1
InChIKey IPAQILGYEQFCFO-NYVOZVTQSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)CC=3C=4C(NC3)=CC=CC4
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 Asn-Trp-Trp (CHEBI:160191) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid