AC1MHR2U

benzyl 4-[(2S)-2-amino-3-[[(2S)-1-(1,2-dibromoethoxy)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzoate

Also Known As: 4-Cbz-L-Phe-L-Ala-1,2-Dibromo-OEt|N-Carbobenzoxy-L-phenylalanyl-L-phenylalanine 1,2-dibromoethyl ester|Alanine, N-(p-(benzyloxycarbonyl)-alpha-aminophenethylcarbonyl)-, 1,2-dibromoethyl ester, L-|benzyl4-[-2-amino-2-[[-1- ethyl]carbamoyl]ethyl]benzoate|Alanine, N-(p-(benzyloxycarbonyl)-alpha-aminophenethylcarbonyl)-, 1,2-dibromoethyl ester, LL-|L-Alanine,N-[4-[(phenylmethoxy)carbonyl]-L-phenylalanyl]-, 1,2-dibromoethyl ester (9CI)|L-Alanine, N-[4-[(phenylmethoxy)carbonyl]-L-phenylalanyl]-, 1,2-dibromoethyl ester|(2S)-2-Amino-3-{4-[(benzyloxy)carbonyl]phenyl}-N-[(2S)-1-(1,2-dibromoethoxy)-1-oxopropan-2-yl]propanimidic acid|2-Amino-3-{4-[(benzyloxy)carbonyl]phenyl}-N-[1-(1,2-dibromoethoxy)-1-oxopropan-2-yl]propanimidic acid|benzyl 4-[(2S)-2-amino-2-{[(2S)-1-(1,2-dibromoethoxy)-1-oxopropan-2-yl]carbamoyl}ethyl]benzoate|benzyl 4-[(2S)-2-amino-3-[[(2S)-1-(1,2-dibromoethoxy)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzoate

Molecular Formula	C22H24Br2N2O5
Molecular Weight	554.0052 g/mol
LogP	3.0772
Topological Polar Surface Area	107.72 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	554.0052
Monoisotopic Mass	556.0032
Heavy Atoms	31
Complexity	877.2298

Chemical Identifiers

CAS Number	73680-50-9
SMILES	C[C@@H](C(=O)OC(CBr)Br)NC(=O)[C@H](CC1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)N