Cyclex-2E

(4S,6R)-6-[[1-[(2S)-2-amino-4-carboxybutanoyl]-2,2-dibenzylcyclohexyl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-4-[[2-(cyclohexylamino)acetyl]amino]-6-formyl-8-[2-(methylamino)acetyl]imino-5,7-dioxooctanoic acid

Also Known As: Cyclex-2E|Cyclo(glu(obz)-sar-gly-(N-cyclohexyl)gly)2|(4S,6R)-6-[[1-[(2S)-2-amino-4-carboxybutanoyl]-2,2-dibenzylcyclohexyl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-4-[[2-(cyclohexylamino)acetyl]amino]-6-formyl-8-[2-(methylamino)acetyl]imino-5,7-dioxooctanoic acid|Cyclic(L-alpha-glutamyl-N-methylglycylglycyl-N-cyclohexylglycyl-L-alpha-glutamyl-N-methylglycylglycyl-N-cyclohexylglycyl), bis(phenylmethyl) ester|(4S,6R)-6-[[1-[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]-2,2-dibenzylcyclohexyl]-[2-[[2-(methylamino)acetyl]amino]acetyl]amino]-4-[[2-(cyclohexylamino)acetyl]amino]-6-formyl-8-[2-(methylamino)acetyl]imino-5,7-dioxooctanoic acid

Molecular Formula	C50H68N8O12
Molecular Weight	972.49567 g/mol
LogP	0.861
Topological Polar Surface Area	312.93 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	14
Rotatable Bonds	29
Exact Mass	972.49567
Monoisotopic Mass	972.49567
Heavy Atoms	70
Complexity	2160.5706

Chemical Identifiers

CAS Number	73243-41-1
SMILES	CNCC(=O)NCC(=O)N(C1(CCCCC1(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)[C@H](CCC(=O)O)N)[C@@](C=O)(C(=O)C=NC(=O)CNC)C(=O)[C@H](CCC(=O)O)NC(=O)CNC4CCCCC4