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LH2

LH2
Name:	4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide
Formula:	C16 H18 B N3 O2
SMILES:	NC(=N)c1ccc(NC[CH]2Cc3ccccc3B(O)O2)cc1
InChi:	InChI=1S/C16H18BN3O2/c18-16(19)11-5-7-13(8-6-11)20-10-14-9-12-3-1-2-4-15(12)17(21)22-14/h1-8,14,20-21H,9-10H2,(H3,18,19)/t14-/m0/s1
Definition date:	2019-08-15
Last modified:	2024-09-27
Release date:	2019-09-25
Identifier:	4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide

LH5

LH5
Name:	4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide
Formula:	C21 H20 B N3 O3
SMILES:	NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4B(O)O3
InChi:	InChI=1S/C21H20BN3O3/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19/h1-9,11-12,19,26H,10,13H2,(H3,23,24)/t19-/m0/s1
Definition date:	2019-08-15
Last modified:	2024-09-27
Release date:	2019-09-25
Identifier:	4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide

LXB

LXB
Name:	2-acetamido-2-deoxy-beta-D-gulopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7+,8-/m1/s1
Synonyms:	N-acetyl-beta-D-gulosamine
Definition date:	2008-07-23
Last modified:	2024-09-27
Identifier:	2-(acetylamino)-2-deoxy-beta-D-gulopyranose

M1N

M1N
Name:	(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACID
Formula:	C23 H32 B N3 O5
SMILES:	O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc2c1ccccc1ccc2)N3CCOCC3
InChi:	InChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1
Synonyms:	N-(4-MORPHOLINE)CARBONYL-B-(1-NAPHTHYL)-L-ALANINE-L-LEUCINE BORONIC ACID
Definition date:	2006-01-10
Last modified:	2024-09-27
Identifier:	[(1R)-3-methyl-1-({(2R)-2-[(morpholin-4-ylcarbonyl)amino]-3-naphthalen-1-ylpropanoyl}amino)butyl]boronic acid (non-preferred name)

M4Y

M4Y
Name:	parthenolide
Formula:	C15 H20 O3
SMILES:	C1(=C)C(=O)OC2C3C(C)(CCC=C(C)CCC12)O3
InChi:	InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1
Synonyms:	(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1 aH)-one
Definition date:	2019-03-25
Last modified:	2024-09-27
Release date:	2019-06-26
Identifier:	(1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one

VA1

VA1
Name:	{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID
Formula:	C11 H10 B N O4 S
SMILES:	O=CN(C=O)Cc2cc1c(sc(c1)B(O)O)cc2
InChi:	InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2
Synonyms:	5-DIFORMYLAMINOMETHYL-BENZO[B]THIOPHEN-2-BORONIC ACID
Definition date:	2006-09-01
Last modified:	2024-09-27
Identifier:	{5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid

2DB

2DB
Name:	(S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATE
Formula:	C3 H10 B O6
SMILES:	O[B-](O)(O)OCC(O)CO
InChi:	InChI=1S/C3H10BO6/c5-1-3(6)2-10-4(7,8)9/h3,5-9H,1-2H2/q-1/t3-/m0/s1
Definition date:	2006-09-19
Last modified:	2024-09-27
Identifier:	trihydroxy[(2S)-propane-1,2,3-triolato-kappaO~1~]borate(1-)

2FG

2FG
Name:	2-deoxy-2-fluoro-beta-D-galactopyranose
Formula:	C6 H11 F O5
SMILES:	FC1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE
Definition date:	2001-10-02
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-beta-D-galactopyranose

2GK

2GK
Name:	(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid
Formula:	C11 H9 B O4 S
SMILES:	O=C(O)C=Cc1c2ccccc2sc1B(O)O
InChi:	InChI=1S/C11H9BO4S/c13-10(14)6-5-8-7-3-1-2-4-9(7)17-11(8)12(15)16/h1-6,15-16H,(H,13,14)/b6-5+
Definition date:	2014-02-21
Last modified:	2024-09-27
Release date:	2014-06-18
Identifier:	(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid

TR8

TR8
Name:	(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)
Formula:	C32 H52 B N4 O10
SMILES:	O=C(NC([B-](O)(O)O)CCO)C3N2C(=O)C(NC(=O)OCC(C)(C)CCCCC1=CC=CC4C1CN(C(=O)OC(C2)C3)C4)C(C)(C)C
InChi:	InChI=1S/C32H52BN4O10/c1-31(2,3)26-28(40)37-17-22(15-24(37)27(39)34-25(12-14-38)33(43,44)45)47-30(42)36-16-21-11-8-10-20(23(21)18-36)9-6-7-13-32(4,5)19-46-29(41)35-26/h8,10-11,21-26,38,43-45H,6-7,9,12-19H2,1-5H3,(H,34,39)(H,35,41)/q-1
Definition date:	2010-08-02
Last modified:	2024-09-27
Identifier:	(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)

TRN

TRN
Name:	NZ2-TRYPTOPHAN
Formula:	C10 H11 N3 O2
SMILES:	O=C(O)C(N)Cc2c1cccnc1nc2
InChi:	InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine

B2A

B2A
Name:	ALANINE BORONIC ACID
Formula:	C2 H8 B N O2
SMILES:	OB(O)C(N)C
InChi:	InChI=1S/C2H8BNO2/c1-2(4)3(5)6/h2,5-6H,4H2,1H3/t2-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-aminoethyl]boronic acid

B2F

B2F
Name:	PHENYLALANINE BORONIC ACID
Formula:	C8 H12 B N O2
SMILES:	OB(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-amino-2-phenylethyl]boronic acid

B2I

B2I
Name:	ISOLEUCINE BORONIC ACID
Formula:	C5 H14 B N O2
SMILES:	OB(O)C(N)C(C)CC
InChi:	InChI=1S/C5H14BNO2/c1-3-4(2)5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t4-,5+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R,2R)-1-amino-2-methylbutyl]boronic acid

B2V

B2V
Name:	VALINE BORONIC ACID
Formula:	C4 H12 B N O2
SMILES:	OB(O)C(N)C(C)C
InChi:	InChI=1S/C4H12BNO2/c1-3(2)4(6)5(7)8/h3-4,7-8H,6H2,1-2H3/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-amino-2-methylpropyl]boronic acid

B6D

B6D
Name:	2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose
Formula:	C10 H18 N2 O5
SMILES:	O=C(NC1C(OC(O)C(NC(=O)C)C1O)C)C
InChi:	InChI=1S/C10H18N2O5/c1-4-7(11-5(2)13)9(15)8(10(16)17-4)12-6(3)14/h4,7-10,15-16H,1-3H3,(H,11,13)(H,12,14)/t4-,7-,8-,9+,10-/m1/s1
Synonyms:	2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose
Definition date:	2008-05-01
Last modified:	2024-09-27
Identifier:	2,4-bis(acetylamino)-2,4,6-trideoxy-beta-D-glucopyranose

BDB

BDB
Name:	4,4'-BIPHENYLDIBORONIC ACID
Formula:	C12 H12 B2 O4
SMILES:	OB(O)c1ccc(cc1)c2ccc(cc2)B(O)O
InChi:	InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
Definition date:	2001-11-20
Last modified:	2024-09-27
Identifier:	biphenyl-4,4'-diyldiboronic acid

BDF

BDF
Name:	beta-D-fructopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)(OCC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
Synonyms:	beta-D-fructose
Definition date:	2002-11-01
Last modified:	2024-09-27
Identifier:	beta-D-fructopyranose

BDP

BDP
Name:	beta-D-glucopyranuronic acid
Formula:	C6 H10 O7
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
Synonyms:	beta-D-glucuronic acid
Definition date:	2001-11-26
Last modified:	2024-09-27
Identifier:	beta-D-glucopyranuronic acid

BE8

BE8
Name:	[(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid
Formula:	C29 H54 B N5 O7 S
SMILES:	O=C(N3C(C(=O)NC(B(O)O)CC1CCC1)C2C(C)(C2C3)C)C(NC(=O)NC(C(C)(C)C)CN(C)S(=O)(=O)C)C(C)(C)C
InChi:	InChI=1S/C29H54BN5O7S/c1-27(2,3)19(16-34(9)43(10,41)42)31-26(38)33-23(28(4,5)6)25(37)35-15-18-21(29(18,7)8)22(35)24(36)32-20(30(39)40)14-17-12-11-13-17/h17-23,39-40H,11-16H2,1-10H3,(H,32,36)(H2,31,33,38)/t18-,19+,20-,21-,22-,23+/m0/s1
Definition date:	2008-11-03
Last modified:	2024-09-27
Identifier:	[(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid

I8K

I8K
Name:	[4-[1-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]piperidin-4-yl]oxyphenyl]-bis(oxidanyl)-$l^{4}-borane
Formula:	C35 H55 B N O6
SMILES:	C[CH](CCC(=O)N1CCC(CC1)Oc2ccc(cc2)[BH](O)O)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]34C
InChi:	InChI=1S/C35H55BNO6/c1-22(4-11-32(40)37-18-14-27(15-19-37)43-26-7-5-24(6-8-26)36(41)42)28-9-10-29-33-30(13-17-35(28,29)3)34(2)16-12-25(38)20-23(34)21-31(33)39/h5-8,22-23,25,27-31,33,36,38-39,41-42H,4,9-21H2,1-3H3/t22-,23+,25-,28-,29+,30+,31+,33+,34+,35-/m1/s1
Definition date:	2022-02-24
Last modified:	2024-09-27
Release date:	2022-05-04
Identifier:	[4-[1-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]piperidin-4-yl]oxyphenyl]-bis(oxidanyl)-$l^{4}-borane

IAP

IAP
Name:	4-IODO-ACETAMIDO PHENYLBORONIC ACID
Formula:	C8 H9 B I N O3
SMILES:	ICC(=O)Nc1cc(B(O)O)ccc1
InChi:	InChI=1S/C8H9BINO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2,(H,11,12)
Definition date:	2001-10-29
Last modified:	2024-09-27
Identifier:	{3-[(iodoacetyl)amino]phenyl}boronic acid

BGC

BGC
Name:	beta-D-glucopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	beta-D-glucose
Definition date:	2002-01-22
Last modified:	2024-09-27
Identifier:	beta-D-glucopyranose

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:	2024-09-27
Identifier:	{[(2-chlorobenzoyl)amino]methyl}boronic acid

BJH

BJH
Name:	1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
Formula:	C11 H14 B N O6
SMILES:	O=C(O)c1cccc(c1O)CC(B(O)O)NC(=O)C
InChi:	InChI=1S/C11H14BNO6/c1-6(14)13-9(12(18)19)5-7-3-2-4-8(10(7)15)11(16)17/h2-4,9,15,18-19H,5H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
Definition date:	2000-04-20
Last modified:	2024-09-27
Identifier:	3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]-2-hydroxybenzoic acid

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