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CHEBI:149882 - Benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate

ChEBI IDCHEBI:149882
ChEBI NameBenzyl N-[(2S)-1-[[(2S)-1-[[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate
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DownloadsMolfile
FormulaC38H47N5O7
Net Charge0
Average Mass685.822
Monoisotopic Mass685.34755
SMILES[H][C@@]1(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)OCc2ccccc2)C(=O)C(=O)NC(C)C)CCNC1=O
InChIInChI=1S/C38H47N5O7/c1-23(2)19-31(35(46)41-30(21-28-17-18-39-34(28)45)33(44)37(48)40-24(3)4)42-36(47)32(43-38(49)50-22-25-11-6-5-7-12-25)20-27-15-10-14-26-13-8-9-16-29(26)27/h5-16,23-24,28,30-32H,17-22H2,1-4H3,(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,43,49)/t28-,30-,31-,32-/m0/s1
InChIKeyGCYUVLWAEVVUEN-MCEBTLFFSA-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)
Benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate (CHEBI:149882) has role anticoronaviral agent (CHEBI:149553)
Benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate (CHEBI:149882) is a dipeptide (CHEBI:46761)