AC1L3WPT

5-O-benzyl 1-O-phenacyl (2S)-2-[[(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]pentanedioate

Also Known As: Phenacyl N-(1-ethoxycarbonyl-2-propenyl)alanyl-gamma-benzylglutamyl-gamma-benzylglutamate|L-Glutamic acid, N-(N-(N-(1-(ethoxycarbonyl)-2-propenyl)-L-alanyl)-L-alpha-glutamyl)-, 1-(2-oxo-2-phenylethyl) 5,5'-bis(phenylmethyl) ester|5-O-benzyl 1-O-phenacyl (2S)-2-[[(2S)-2-[[(2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]pentanedioate|L-Glutamic acid, N-[N-[N-[1-(ethoxycarbonyl)-2-propenyl]-L-alanyl]-L-.alpha.-glutamyl]-, 1-(2-oxo-2-phenylethyl) 5,5'-bis(phenylmethyl) ester

Molecular Formula	C41H47N3O11
Molecular Weight	757.32104 g/mol
LogP	4.8
Topological Polar Surface Area	193.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	27
Exact Mass	757.32104
Monoisotopic Mass	757.32104
Heavy Atoms	55
Complexity	1270.0

Chemical Identifiers

CAS Number	38236-39-4
SMILES	CCOC(=O)C(C=C)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)OCC2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3
InChIKey	CNAHJEUMYOJVKF-XOECJQCUSA-N