Ciprokiren

(2S)-2-benzyl-N-[(2S)-1-[[(2S,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanamide

Also Known As: Ciprokiren|LIMONOL|AC1Q5KBJ|AC1L228E|(2S)-2-benzyl-N-[(2S)-1-[[(2S,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanamide|n|A-[(2s)-2-benzyl-3-{[2-methyl-1-(morpholin-4-yl)-1-oxopropan-2-yl]sulfonyl}propanoyl]-n-[(2s,4s)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-l-histidinamide

Molecular Formula	C37H55N5O8S
Molecular Weight	729.37714 g/mol
LogP	1.94
Topological Polar Surface Area	191.02 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	17
Exact Mass	729.37714
Heavy Atoms	51
Complexity	1537.5

Chemical Identifiers

CAS Number	143631-62-3
SMILES	CC(C)(C(=O)N1CCOCC1)S(=O)(=O)C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC4CCCCC4)C([C@H](C5CC5)O)O