SQ 31844

N-[(2S)-1-[[(2S)-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-1-(1H-imidazol-2-yl)propan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

Also Known As: SQ 31844|N-[(2S)-1-[[(2S)-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-1-(1H-imidazol-2-yl)propan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide|(4-Morpholinylcarbonyl)-L-phenylalanyl-N-(1-(cyclohexylmethyl)-2-hydroxy-2-(1H-imidazol-2-yl)ethyl)-L-histidinamide|L-Histidinamide, N-(4-morpholinylcarbonyl)-L-phenylalanyl-N-(1-(cyclohexylmethyl)-2-hydroxy-2-(1H-imidazol-2-yl)ethyl)-, (R-(R*,S*))-|L-Histidinamide, N-(4-morpholinylcarbonyl)-L-phenylalanyl-N-[1-(cyclohexylmethyl)-2-hydroxy-2-(1H-imidazol-2-yl)ethyl]-, [R-(R*,S*)]- (9CI)|n|A-[(1r,2s)-3-cyclohexyl-1-hydroxy-1-(1h-imidazol-2-yl)propan-2-yl]-n-{(2s)-2-[(morpholin-4-ylcarbonyl)amino]-3-phenylpropanoyl}-l-histidinamide|L-Histidinamide,N-(4-morpholinylcarbonyl)-L-phenylalanyl-N-[1-(cyclohexylmethyl)-2-hydroxy-2-(1H-imidazol-2-yl)ethyl]-,[R-(R*,S*)]- (9CI)|N-[(2S)-1-({N-[(1R,2S)-3-Cyclohexyl-1-hydroxy-1-(1H-imidazol-2-yl)propan-2-yl]-L-histidyl}imino)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-carboximidic acid|N-[1-({N-[3-Cyclohexyl-1-hydroxy-1-(1H-imidazol-2-yl)propan-2-yl]histidyl}imino)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-carboximidic acid

Molecular Formula	C32H44N8O5
Molecular Weight	620.34344 g/mol
LogP	2.2
Topological Polar Surface Area	177.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	13
Exact Mass	620.34344
Monoisotopic Mass	620.34344
Heavy Atoms	45
Complexity	941.0

Chemical Identifiers

CAS Number	6283-97-2
SMILES	C1CCC(CC1)C[C@@H]([C@H](C2=NC=CN2)O)N[C@@H](CC3=CN=CN3)C(=O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)N5CCOCC5
InChIKey	JAPDNMREULWAIY-LAJGZZDBSA-N