Chloropeptide

17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone

Also Known As: Chloropeptide, Islanditoxin, CYCLOCHLOROTINE, Yellowed rice toxin, CCRIS 1316, HSDB 3478, Chloropeptide, from penicillium islandicum, Chlorine-containing peptide, from penicillium islandicum, 17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone, (3S,7S,10S,13S,16R,17R,18S)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone, Cyclic(L-3-phenyl-beta-alanyl-L-seryl-3,4-dichloro-L-prolyl-L-alpha-aminobutyryl-L-seryl), 17,18-dichloro-3-ethyl-6,13-bis(hydroxymethyl)-9-phenyldodecahydropyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone, Cyclic(L-3-phenyl-beta-alanyl-L-seryl-(3S-cis)-3,4-dichloro-L-prolyl-L-alpha-aminobutyryl-L-seryl), Cyclic[3-phenyl-b-alanylseryl-3,4-dichloroprolylaminobutyrylseryl], 9CI, 17,18-dichloro-3-ethyl-13-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyldodecahydropyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone

Molecular Formula	C24H31Cl2N5O7
Molecular Weight	571.16003 g/mol
LogP	-1.48
Topological Polar Surface Area	177.17 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	571.16003
Heavy Atoms	38
Complexity	1046

Chemical Identifiers

CAS Number	12663-46-6
SMILES	CCC1C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)N2CC(C(C2C(=O)N1)Cl)Cl)CO)C3=CC=CC=C3)CO