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K2E

K2E
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate
Formula:	C30 H40 N2 O9 S
SMILES:	O=S(=O)(c2cc1OCOc1cc2)N(CC(CC)CC)CC(O)C(NC(=O)OC3COC4OCCC34)Cc5ccccc5
InChi:	InChI=1S/C30H40N2O9S/c1-3-20(4-2)16-32(42(35,36)22-10-11-26-27(15-22)40-19-39-26)17-25(33)24(14-21-8-6-5-7-9-21)31-30(34)41-28-18-38-29-23(28)12-13-37-29/h5-11,15,20,23-25,28-29,33H,3-4,12-14,16-19H2,1-2H3,(H,31,34)/t23-,24-,25+,28-,29+/m0/s1
Definition date:	2010-08-04
Last modified:	2011-08-05
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate

3OJ

3OJ
Name:	4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile
Formula:	C15 H9 B N2 O3
SMILES:	N#Cc3cc(Oc2cc1c(B(O)OC1)cc2)ccc3C#N
InChi:	InChI=1S/C15H9BN2O3/c17-7-10-1-2-13(5-11(10)8-18)21-14-3-4-15-12(6-14)9-20-16(15)19/h1-6,19H,9H2
Definition date:	2010-07-21
Last modified:	2011-08-05
Identifier:	4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile

F53

F53
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate
Formula:	C30 H42 N2 O8 S
SMILES:	O=S(=O)(c1ccc(cc1)CO)N(CC(CC)CC)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4
InChi:	InChI=1S/C30H42N2O8S/c1-3-21(4-2)17-32(41(36,37)24-12-10-23(19-33)11-13-24)18-27(34)26(16-22-8-6-5-7-9-22)31-30(35)40-28-20-39-29-25(28)14-15-38-29/h5-13,21,25-29,33-34H,3-4,14-20H2,1-2H3,(H,31,35)/t25-,26-,27+,28-,29+/m0/s1
Definition date:	2010-08-04
Last modified:	2011-08-05
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate

Z06

Z06
Name:	(3-acetamido-5-carboxy-phenyl)-trihydroxy-boron
Formula:	C9 H11 B N O6
SMILES:	CC(=O)Nc1cc(cc(c1)[B-](O)(O)O)C(O)=O
InChi:	InChI=1S/C9H11BNO6/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15,16)17/h2-4,15-17H,1H3,(H,11,12)(H,13,14)/q-1
Definition date:	2010-12-15
Last modified:	2011-07-29
Identifier:	(3-acetamido-5-carboxy-phenyl)-trihydroxy-boron

Z10

Z10
Name:	[(1S)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron
Formula:	C15 H16 B F N O4
SMILES:	C[CH](NC(=O)c1c(F)cccc1c2ccccc2)[B-](O)(O)O
InChi:	InChI=1S/C15H16BFNO4/c1-10(16(20,21)22)18-15(19)14-12(8-5-9-13(14)17)11-6-3-2-4-7-11/h2-10,20-22H,1H3,(H,18,19)/q-1/t10-/m1/s1
Definition date:	2010-12-15
Last modified:	2011-07-29
Identifier:	[(1S)-1-[(2-fluoro-6-phenyl-phenyl)carbonylamino]ethyl]-trihydroxy-boron

ZA4

ZA4
Name:	[(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H10 B F N O4
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1F
InChi:	InChI=1S/C8H10BFNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1
Definition date:	2010-12-15
Last modified:	2011-07-29
Identifier:	[(2-fluorophenyl)carbonylamino]methyl-trihydroxy-boron

ZA5

ZA5
Name:	[(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C8 H9 B F2 N O4
SMILES:	O[B-](O)(O)CNC(=O)c1c(F)cccc1F
InChi:	InChI=1S/C8H9BF2NO4/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14,15)16/h1-3,14-16H,4H2,(H,12,13)/q-1
Definition date:	2010-12-15
Last modified:	2011-07-29
Identifier:	[(2,6-difluorophenyl)carbonylamino]methyl-trihydroxy-boron

ZG1

ZG1
Name:	1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
Formula:	C21 H27 N7 O3
SMILES:	O=C(N1CCCC1)Cc2nc(on2)c4c(NC3CCOCC3)c5cnn(c5nc4)CC
InChi:	InChI=1S/C21H27N7O3/c1-2-28-20-15(13-23-28)19(24-14-5-9-30-10-6-14)16(12-22-20)21-25-17(26-31-21)11-18(29)27-7-3-4-8-27/h12-14H,2-11H2,1H3,(H,22,24)
Definition date:	2010-07-29
Last modified:	2011-07-29
Identifier:	2-{5-[1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1,2,4-oxadiazol-3-yl}-1-(pyrrolidin-1-yl)ethanone

ZG2

ZG2
Name:	5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
Formula:	C29 H34 N6 O3
SMILES:	O=C(N1CCCC1)Cc2nc(oc2Cc3ccccc3)c4c(c5c(nc4)n(nc5)CC)NC6CCOCC6
InChi:	InChI=1S/C29H34N6O3/c1-2-35-28-22(19-31-35)27(32-21-10-14-37-15-11-21)23(18-30-28)29-33-24(17-26(36)34-12-6-7-13-34)25(38-29)16-20-8-4-3-5-9-20/h3-5,8-9,18-19,21H,2,6-7,10-17H2,1H3,(H,30,32)
Definition date:	2010-07-29
Last modified:	2011-07-29
Identifier:	2-{5-benzyl-2-[1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1,3-oxazol-4-yl}-1-(pyrrolidin-1-yl)ethanone

A01

A01
Name:	[(2,6-DIMETHOXYPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
Formula:	C10 H15 B N O6
SMILES:	COc1cccc(OC)c1C(=O)NC[B-](O)(O)O
InChi:	InChI=1S/C10H15BNO6/c1-17-7-4-3-5-8(18-2)9(7)10(13)12-6-11(14,15)16/h3-5,14-16H,6H2,1-2H3,(H,12,13)/q-1
Definition date:	2010-12-15
Last modified:	2011-07-29
Identifier:	[(2,6-dimethoxyphenyl)carbonylamino]methyl-trihydroxy-boron

EO9

EO9
Name:	[(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
Formula:	C9 H11 B F2 N O4
SMILES:	C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O
InChi:	InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m1/s1
Definition date:	2010-12-15
Last modified:	2011-07-29
Identifier:	[(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron

E06

E06
Name:	[(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
Formula:	C9 H11 B F2 N O4
SMILES:	C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O
InChi:	InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m0/s1
Definition date:	2010-12-15
Last modified:	2011-07-29
Identifier:	[(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron

E07

E07
Name:	TRIHYDROXY-[(1S)-1-[[2-(PHENYLMETHYL)PHENYL]CARBONYLAMINO]ETHYL]BORON
Formula:	C16 H19 B N O4
SMILES:	C[CH](NC(=O)c1ccccc1Cc2ccccc2)[B](O)(O)O
InChi:	InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1
Definition date:	2010-12-15
Last modified:	2011-07-29
Identifier:	trihydroxy-[(1S)-1-[[2-(phenylmethyl)phenyl]carbonylamino]ethyl]boron

E08

E08
Name:	TRIHYDROXY-[(1S)-1-[(2-PROPAN-2-YLPHENYL)CARBONYLAMINO]ETHYL]BORON
Formula:	C12 H19 B N O4
SMILES:	CC(C)c1ccccc1C(=O)N[CH](C)[B-](O)(O)O
InChi:	InChI=1S/C12H19BNO4/c1-8(2)10-6-4-5-7-11(10)12(15)14-9(3)13(16,17)18/h4-9,16-18H,1-3H3,(H,14,15)/q-1/t9-/m1/s1
Definition date:	2010-12-15
Last modified:	2011-07-29
Identifier:	trihydroxy-[(1S)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron

ZA3

ZA3
Name:	TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON
Formula:	C8 H10 B N2 O6
SMILES:	O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O
InChi:	InChI=1S/C8H10BN2O6/c12-8(10-5-9(13,14)15)6-3-1-2-4-7(6)11(16)17/h1-4,13-15H,5H2,(H,10,12)/q-1
Definition date:	2010-12-15
Last modified:	2011-07-22
Identifier:	trihydroxy-[[(2-nitrophenyl)carbonylamino]methyl]boron

BH6

BH6
Name:	{[(2-chlorobenzoyl)amino]methyl}boronic acid
Formula:	C8 H9 B Cl N O3
SMILES:	O=C(c1ccccc1Cl)NCB(O)O
InChi:	InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)
Definition date:	2011-01-13
Last modified:	2011-07-22
Identifier:	{[(2-chlorobenzoyl)amino]methyl}boronic acid

FP5

FP5
Name:	PHENYLACETAMIDOMETHYL BORONIC ACID
Formula:	C9 H12 B N O3
SMILES:	OB(O)CNC(=O)Cc1ccccc1
InChi:	InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)
Definition date:	2011-01-12
Last modified:	2011-07-22
Identifier:	(2-phenylethanoylamino)methylboronic acid

FB5

FB5
Name:	2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine
Formula:	C7 H14 B F2 N O4
SMILES:	FC(F)C(N)(C(=O)O)CCCCB(O)O
InChi:	InChI=1S/C7H14BF2NO4/c9-5(10)7(11,6(12)13)3-1-2-4-8(14)15/h5,14-15H,1-4,11H2,(H,12,13)/t7-/m1/s1
Definition date:	2011-06-27
Last modified:	2011-07-15
Identifier:	2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine

FB6

FB6
Name:	6-(dihydroxyboranyl)-2-methyl-L-norleucine
Formula:	C7 H16 B N O4
SMILES:	O=C(O)C(N)(CCCCB(O)O)C
InChi:	InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)/t7-/m0/s1
Definition date:	2011-06-27
Last modified:	2011-07-15
Identifier:	6-(dihydroxyboranyl)-2-methyl-L-norleucine

4U7

4U7
Name:	[(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-)
Formula:	C7 H15 B F2 N O5
SMILES:	FC(F)C(N)(C(=O)O)CCCC[B-](O)(O)O
InChi:	InChI=1S/C7H15BF2NO5/c9-5(10)7(11,6(12)13)3-1-2-4-8(14,15)16/h5,14-16H,1-4,11H2,(H,12,13)/q-1/t7-/m1/s1
Definition date:	2011-06-28
Last modified:	2011-07-15
Identifier:	[(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-)

5AB

5AB
Name:	[(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate
Formula:	C7 H17 B N O5
SMILES:	O=C(O)C(N)(CCCC[B-](O)(O)O)C
InChi:	InChI=1S/C7H17BNO5/c1-7(9,6(10)11)4-2-3-5-8(12,13)14/h12-14H,2-5,9H2,1H3,(H,10,11)/q-1/t7-/m0/s1
Definition date:	2011-06-28
Last modified:	2011-07-15
Identifier:	[(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate(1-)

0ZW

0ZW
Name:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide
Formula:	C21 H44 B N4 O7
SMILES:	O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(B(O)OCCCO)CCCC[NH3+])C(C)C)C
InChi:	InChI=1S/C21H43BN4O7/c1-14(2)17(26-18(28)15(3)24-20(30)33-21(4,5)6)19(29)25-16(10-7-8-11-23)22(31)32-13-9-12-27/h14-17,27,31H,7-13,23H2,1-6H3,(H,24,30)(H,25,29)(H,26,28)/p+1/t15-,16-,17-/m0/s1
Definition date:	2008-08-18
Last modified:	2011-07-13
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide

0ZX

0ZX
Name:	N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide
Formula:	C22 H45 B N4 O6
SMILES:	O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(B(OCC)OCC)CCCCN)C(C)C)C
InChi:	InChI=1S/C22H45BN4O6/c1-9-31-23(32-10-2)17(13-11-12-14-24)26-20(29)18(15(3)4)27-19(28)16(5)25-21(30)33-22(6,7)8/h15-18H,9-14,24H2,1-8H3,(H,25,30)(H,26,29)(H,27,28)/t16-,17-,18-/m0/s1
Definition date:	2009-02-04
Last modified:	2011-07-13
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide

0ZY

0ZY
Name:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide
Formula:	C19 H40 B N4 O6
SMILES:	O=C(NC(B(O)OC)CCCC[NH3+])C(NC(=O)C(NC(=O)OC(C)(C)C)C)C(C)C
InChi:	InChI=1S/C19H39BN4O6/c1-12(2)15(17(26)23-14(20(28)29-7)10-8-9-11-21)24-16(25)13(3)22-18(27)30-19(4,5)6/h12-15,28H,8-11,21H2,1-7H3,(H,22,27)(H,23,26)(H,24,25)/p+1/t13-,14-,15-/m0/s1
Definition date:	2008-08-19
Last modified:	2011-07-13
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide

3QT

3QT
Name:	6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline
Formula:	C20 H16 N6
SMILES:	n1cc(n2nc(ccc12)c3cn(nc3)C)Cc5cc4cccnc4cc5
InChi:	InChI=1S/C20H16N6/c1-25-13-16(11-23-25)19-6-7-20-22-12-17(26(20)24-19)10-14-4-5-18-15(9-14)3-2-8-21-18/h2-9,11-13H,10H2,1H3
Definition date:	2011-02-24
Last modified:	2011-07-01
Identifier:	6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline

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