Cyclic leucine enkephalin

(3S,6S,9S,12S,15S)-6,9-bis(4-aminobutyl)-15-benzyl-3-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Also Known As: Cyclic leucine enkephalin|Lys-lys-linked cyclic leucine enkephalin|cyclo(glycyl-l-phenylalanyl-l-leucyl-l-lysyl-l-lysyl-l-tyrosyl)|Cyclic(glycylglycyl-L-phenylalanyl-L-leucyl-L-lysyl-L-lysyl-L-tyrosyl)|(3S,6S,9S,12S,15S)-6,9-bis(4-aminobutyl)-3-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-15-(phenylmethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone|(3S,6S,9S,12S,15S)-6,9-Bis(4-aminobutyl)-15-benzyl-3-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol|(3S,6S,9S,12S,15S)-6,9-bis(4-aminobutyl)-15-benzyl-3-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone|6,9-Bis(4-aminobutyl)-15-benzyl-3-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1,4,7,10,13,16-hexaene-2,5,8,11,14,17-hexol

Molecular Formula	C38H56N8O7
Molecular Weight	736.4272 g/mol
LogP	1.8
Topological Polar Surface Area	247.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	9
Rotatable Bonds	14
Exact Mass	736.4272
Monoisotopic Mass	736.4272
Heavy Atoms	53
Complexity	1190.0

Chemical Identifiers

CAS Number	83808-56-4
SMILES	CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)CCCCN)CCCCN
InChIKey	IGAGSIVYOPTBPJ-XDIGFQIYSA-N