CHEBI:143345 - 2-[(E)-{2-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-carboxyethylidene}amino]-3-methyl-3-sulfanylbutanoic acid

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ChEBI Name 2-[(E)-{2-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-carboxyethylidene}amino]-3-methyl-3-sulfanylbutanoic acid
ChEBI ID CHEBI:143345
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C16H21N3O6S
Net Charge 0
Average Mass 383.421
Monoisotopic Mass 383.115
InChI InChI=1S/C16H21N3O6S/c1-16(2,26)12(15(24)25)18-7-10(14(22)23)19-13(21)11(17)8-3-5-9(20)6-4-8/h3-7,10-12,20,26H,17H2,1-2H3,(H,19,21)(H,22,23)(H,24,25)/b18-7+/t10-,11?,12?/m0/s1
InChIKey GBJZGFKPZVOVSS-OFGSZRCTSA-N
SMILES SC(C(/N=C/[C@H](NC(=O)C(N)C1=CC=C(O)C=C1)C(=O)O)C(=O)O)(C)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 )
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ChEBI Ontology
Outgoing 2-[(E)-{2-[2-amino-2-(4-hydroxyphenyl)acetamido]-2-carboxyethylidene}amino]-3-methyl-3-sulfanylbutanoic acid (CHEBI:143345) is a peptide (CHEBI:16670)