(2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

Formula:C22H43N5O13 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide is not a drug-like molecule.

MolName	(2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
MolecularFormula	C22H43N5O13
Smiles	NCC[C@H](C(N[C@H](C[C@@H]([C@H]([C@@H]1O)O[C@H]([C@@H]([C@H]2O)O)O[C@H](CN)[C@H]2O)N)[C@@H]1O[C@H](C([C@H]1N)O)O[C@H](CO)[C@H]1O)=O)O
InChI	InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7-,8-,9-,10-,11-,12+,13+,14?,15-,16-,17+,18+,19+,21-,22-/m1/s1
InChIK	LKCWBDHBTVXHDL-WOHQNDRNSA-N
TotalMolweight	585.605
Molweight	585.605
MonoisotopicMass	585.28574
CLogP	-8.5032
CLogS	0.233
H Acceptors	18
H Donors	13
TotalSurfaceArea	395.89
Relative PSA	0.58193
PolarSurfaceArea	331.94
Druglikeness	5.3041
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.4
Fragments	1
Non HAtoms	40
NonCHAtoms	18
Electronegative Atoms	18
StereoCenters	16
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Sp3Atoms	37
Amides	1
Amines	4
AlkylAmines	4
BasicNitrogens	4
StereoCon	unknown chirality

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1 - (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide | 2 - (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

Request More Details | (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

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