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CHEBI:149917 - (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoic acid

ChEBI IDCHEBI:149917
ChEBI Name(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoic acid
Stars
DownloadsMolfile
FormulaC25H42N6O12
Net Charge0
Average Mass618.641
Monoisotopic Mass618.28607
SMILESCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O
InChIInChI=1S/C25H42N6O12/c1-11(2)9-16(22(39)28-15(25(42)43)5-7-18(26)35)29-24(41)20(12(3)33)31-23(40)17(10-32)30-21(38)14(27-13(4)34)6-8-19(36)37/h11-12,14-17,20,32-33H,5-10H2,1-4H3,(H2,26,35)(H,27,34)(H,28,39)(H,29,41)(H,30,38)(H,31,40)(H,36,37)(H,42,43)/t12-,14+,15+,16+,17+,20+/m1/s1
InChIKeyYPLMJGYIHYVAIE-MPNIINQASA-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-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoic acid (CHEBI:149917) has role anticoronaviral agent (CHEBI:149553)
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-Acetamido-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoic acid (CHEBI:149917) is a oligopeptide (CHEBI:25676)