Benzyloxycarbonylalanyl-alanyl phenylalanine chloromethyl ketone

benzyl N-[(2S)-1-[[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]propanoyl]amino]-1-oxopropan-2-yl]carbamate

Also Known As: Z-Ala-ala-phe-CH2CL|Benzyloxycarbonyl-ala-ala-phe-chloromethyl ketone|(S)-N-((Phenylmethoxy)carbonyl)-L-alanyl-N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-L-alaninamide|Benzyloxycarbonylalanyl-alanyl phenylalanine chloromethyl ketone|benzyl N-[(2S)-1-[[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]propanoyl]amino]-1-oxopropan-2-yl]carbamate|benzyl[(2s)-1-{[(2s)-2-{[(2s)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino}propanoyl]amino}-1-oxopropan-2-yl]carbamate(non-preferred name)|(2S)-N-{N-[(Benzyloxy)(hydroxy)methylidene]-L-alanyl}-2-{[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino}propanimidic acid|L-Alaninamide, N-((phenylmethoxy)carbonyl)-L-alanyl-N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-, (S)-|N-{N-[(Benzyloxy)(hydroxy)methylidene]alanyl}-2-[(4-chloro-3-oxo-1-phenylbutan-2-yl)amino]propanimidic acid

Molecular Formula	C24H28ClN3O5
Molecular Weight	473.17175 g/mol
LogP	3.3
Topological Polar Surface Area	114.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	12
Exact Mass	473.17175
Monoisotopic Mass	473.17175
Heavy Atoms	33
Complexity	662.0

Chemical Identifiers

CAS Number	93044-77-0
SMILES	C[C@@H](C(=O)NC(=O)[C@H](C)NC(=O)OCC1=CC=CC=C1)N[C@@H](CC2=CC=CC=C2)C(=O)CCl
InChIKey	GVXFHFRNYPQKLM-ZWOKBUDYSA-N