C29H37Cl2FN4O4.ClH structure

C29H37Cl2FN4O4.ClH

ethyl (2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(4-fluorophenyl)propanoate;hydrochloride

Also Known As: EINECS 252-756-8|Ethyl N-(3-(bis(2-chloroethyl)amino)-3-phenyl-N-L-prolyl-L-alanyl)-4-fluoro-3-phenyl-L-alaninate monohydrochloride|ETHYL N-[3-[BIS(2-CHLOROETHYL)AMINO]-3-PHENYL-N-L-PROLYL-L-ALANYL]-4-FLUORO-3-PHENYL-L-ALANINATE MONOHYDROCHLORIDE|ethylN-[3-[bis amino]-3-phenyl-N-L-prolyl-L-alanyl]-4-fluoro-3-phenyl-L-alaninatemonohydrochloride

CAS: 35849-47-9
Molecular Formula C29H38Cl3FN4O4
Molecular Weight 630.1943 g/mol
LogP 3.6014
Topological Polar Surface Area 99.77 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 15
Exact Mass 630.1943
Monoisotopic Mass 630.1943
Heavy Atoms 41
Complexity 1113.4954

Chemical Identifiers

CAS Number 35849-47-9
SMILES CCOC(=O)[C@H](CC1=CC=C(C=C1)F)NC(=O)[C@H](CC2=CC(=CC=C2)N(CCCl)CCCl)NC(=O)[C@@H]3CCCN3.Cl

Product Overview

C29H37Cl2FN4O4.ClH (CAS 35849-47-9), with molecular formula C29H38Cl3FN4O4 and molecular weight 630.1943 g/mol. IUPAC: ethyl (2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(4-fluorophenyl)propanoate;hydrochloride.

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