WR1

NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE

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is present as a standalone ligand in 1 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries

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Chemical Component Summary
Name	NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE
Identifiers	phenylmethyl N-[(2S)-1-[[(2R)-5-hydroxy-3-oxo-pentan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]carbamate
Formula	C₂₂ H₂₆ N₂ O₅
Molecular Weight	398.452
Type	NON-POLYMER
Isomeric SMILES	C[C@H](C(=O)CCO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2
InChI	InChI=1S/C22H26N2O5/c1-16(20(26)12-13-25)23-21(27)19(14-17-8-4-2-5-9-17)24-22(28)29-15-18-10-6-3-7-11-18/h2-11,16,19,25H,12-15H2,1H3,(H,23,27)(H,24,28)/t16-,19+/m1/s1
InChIKey	UUOOAGBWJUGBMV-APWZRJJASA-N

Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	2
Bond Count	56
Aromatic Bond Count	12

Drug Info: DrugBank

DrugBank ID	DB08732
Name	NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE
Groups	experimental
Synonyms	NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Replicase polyprotein 1ab	MESLVLGVNEKTHVQLSLPVLQVRDVLVRGFGDSVEEALSEAREHLKNGT...	unknown
Replicase polyprotein 1a	MESLVLGVNEKTHVQLSLPVLQVRDVLVRGFGDSVEEALSEAREHLKNGT...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682