Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate

(2,3,4,5,6-pentachlorophenyl) (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Also Known As: Linaclotide Impurity 32|EINECS 237-156-6|Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate|pentachlorophenyl n-[(benzyloxy)carbonyl]-l-isoleucinate|perchlorophenyl ((benzyloxy)carbonyl)-L-isoleucinate|(2,3,4,5,6-pentachlorophenyl) (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate|N-benzyloxycarbonyl-isoleucine pentachloro-phenyl ester|N-[(Benzyloxy)carbonyl]-L-isoleucine pentachlorophenyl ester|L-Isoleucine, N-((phenylmethoxy)carbonyl)-, pentachlorophenyl ester|L-Isoleucine,N-[(phenylmethoxy)carbonyl]-, pentachlorophenyl ester (9CI)|2,3,4,5,6-PENTACHLOROPHENYL (2S,3S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-METHYLPENTANOATE|237-156-6

Molecular Formula	C20H18Cl5NO4
Molecular Weight	510.96783 g/mol
LogP	7.2
Topological Polar Surface Area	64.63 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	512.9649
Heavy Atoms	30
Complexity	894.2

Chemical Identifiers

CAS Number	13673-53-5
SMILES	CC[C@H](C)[C@@H](C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)NC(=O)OCC2=CC=CC=C2