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CHEBI:149916 - (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoic acid

ChEBI IDCHEBI:149916
ChEBI Name(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoic acid
Stars
DownloadsMolfile
FormulaC21H35N7O12
Net Charge0
Average Mass577.548
Monoisotopic Mass577.23437
SMILESCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O
InChIInChI=1S/C21H35N7O12/c1-8(31)16(20(38)27-12(6-29)18(36)25-10(21(39)40)3-4-14(22)33)28-19(37)13(7-30)26-17(35)11(5-15(23)34)24-9(2)32/h8,10-13,16,29-31H,3-7H2,1-2H3,(H2,22,33)(H2,23,34)(H,24,32)(H,25,36)(H,26,35)(H,27,38)(H,28,37)(H,39,40)/t8-,10+,11+,12+,13+,16+/m1/s1
InChIKeyPRQMKRLJXVSCOO-IEYWDGSESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoic acid (CHEBI:149916) has role anticoronaviral agent (CHEBI:149553)
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoic acid (CHEBI:149916) is a oligopeptide (CHEBI:25676)