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Drug Details

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Name:DB04595
PubChem ID:6323191
Pathway:-
InChI:InChI=1/C35H48N6O8/c1-20(2)16-27(39-35(47)30(21(3)4)40-31(43)23(6)37-34(46)28-17-22(5)49-41-28)33(45)38-26(18-25-14-15-36-32(25)44)12-13-29(42)48-19-24-10-8-7-9-11-24/h7-13,17,20-21,23,25-27,30H,14-16,18-19H2,1-6H3,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,40,43)/b13-12+/t23-,25-,26?,27-,30-/m0/s1/f/h36-40H
SMILES:CC(C)C[C@@H](C(NC(C(/[H])=C(\[H])C(=O)OCc1ccccc1)C[C@@H]1(CCNC1=O))=O)NC([C@@H](C(C)C)NC([C@@H](C)NC(c1cc(C)on1)=O)=O)=O

Properties:
Formula:C35H48N6O8Atoms:56
Molecular Weight:680.791Rotatable Bonds:22
H-bond Acceptors:14H-bond Donors:0
logP:3.976
Targets:
NameUniprot IDSourceReferencesInteraction
Replicase polyprotein 1abR1AB_CVHSADrugBank-shows
Synonyms:
(E)-(4S,6S)-8-METHYL-6-((S)-3-METHYL-2-{(S)-2-[(5-METHYL-ISOXAZOLE-3-CARBO
(E)-(4S,6S)-8-METHYL-6-((S)-3-METHYL-2-{(S)-2-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-5-OXO-4-((R)-2-OXO-PYRROLIDIN-3-YLMETHYL)-NON-2-ENOIC ACID BENZYL ESTER
3IH
AC1O43O2
CHEBI:39900
CHEMBL1230135
CID6323191
DB04595
N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
phenylmethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-[[(2S)-2-[(5-methyl1,2-oxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate