S 2864

acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide

Also Known As: S 2864|S-2864|n|A-[4-(4-aminopiperidin-1-yl)-2-benzyl-4-oxobutanoyl]-n-[(3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-(pyridin-2-yl)hexan-2-yl]-l-histidinamide acetate(1:1)|1-Piperidinebutanamide, 4-amino-N-(2-((1-(cyclohexylmethyl)-2,3-dihydroxy-5-(2-pyridinyl)pentyl)amino)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-gamma-oxo-alpha-(phenylmethyl)-, (1S-(1R*(R*(S*)),2S*,3R*))-, monoacetate (salt)|acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide|(2S,3R,4S)-N-(N-((2R)-3-((4-(Aminopiperidyl))carbonyl)-2-benzylpropionyl)-L-histidyl)1-cyclohexyl-3,4-dihydroxy-6-(2-pyridyl)hexan-2-amine acetate|A-[4-(4-aminopiperidin-1-yl)-2-benzyl-4-oxobutanoyl]-n-[(3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-(pyridin-2-yl)hexan-2-yl]-l-histidinamide acetate(1:1)|Acetic acid--Nalpha-[4-(4-aminopiperidin-1-yl)-2-benzyl-4-oxobutanoyl]-N-[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-(pyridin-2-yl)hexan-2-yl]-L-histidinamide (1/1)|acetic acid; 4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide

Molecular Formula	C41H59N7O7
Molecular Weight	761.4476 g/mol
LogP	2.9314
Topological Polar Surface Area	224.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	10
Rotatable Bonds	17
Exact Mass	761.4476
Monoisotopic Mass	761.4476
Heavy Atoms	55
Complexity	1090.0

Chemical Identifiers

CAS Number	6284-74-8
SMILES	CC(=O)O.C1CCC(CC1)CC([C@H]([C@H](CCC2=CC=CC=N2)O)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)C(CC4=CC=CC=C4)CC(=O)N5CCC(CC5)N
InChIKey	UOEDBDDWFLNBMX-UFBZHCLNSA-N