AC1Mqrfj

methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoate

Also Known As: Z-Asn-Phe-Ome|4-(3-methoxypropoxy)-2,3-dimethylpyridine-N-oxide|Methyl N~2~-[(benzyloxy)carbonyl]asparaginylphenylalaninate|methyl (2R)-2-[((2S)-4-amino-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoyl)amino]-3-phenylpropanoate|methyl 2-(2-{[(benzyloxy)carbonyl]amino}butanediamido)-3-phenylpropanoate|Methyl 2-[(3-carbamoyl-2-phenylmethoxycarbonylamino-propanoyl)amino]-3-phenyl-propanoate|methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoate

Molecular Formula	C22H25N3O6
Molecular Weight	427.17435 g/mol
LogP	1.0573
Topological Polar Surface Area	136.82 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	427.17435
Monoisotopic Mass	427.17435
Heavy Atoms	31
Complexity	888.634

Chemical Identifiers

CAS Number	4976-86-7
SMILES	COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)OCC2=CC=CC=C2