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OZF

OZF
Name:	3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
Formula:	C11 H17 B N O9 P S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O
InChi:	InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m1/s1
Definition date:	2022-05-19
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid

OZO

OZO
Name:	3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
Formula:	C11 H17 B N O9 P S
SMILES:	O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O
InChi:	InChI=1S/C11H17BNO9PS/c1-2-10(12(16)22-23(17,18)19)13-24(20,21)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16H,2,7H2,1H3,(H,14,15)(H2,17,18,19)/t10-/m0/s1
Definition date:	2022-05-19
Last modified:	2024-09-27
Release date:	2023-04-05
Identifier:	3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid

P1K

P1K
Name:	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
Formula:	C6 H11 B F3 N4 O7 P S
SMILES:	OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P](O)(O)=O
InChi:	InChI=1S/C6H11BF3N4O7PS/c8-6(9,10)3-23(19,20)11-1-5-2-14(13-12-5)4-7(15)21-22(16,17)18/h2,11,15H,1,3-4H2,(H2,16,17,18)
Definition date:	2019-08-16
Last modified:	2024-09-27
Release date:	2020-06-24
Identifier:	phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid

CIX

CIX
Name:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide
Formula:	C25 H42 B N3 O6
SMILES:	O=C(NC(B(O)O)CC(C)C)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:	InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1
Synonyms:	MG262
Definition date:	2012-08-02
Last modified:	2024-09-27
Release date:	2013-06-26
Identifier:	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide

CLB

CLB
Name:	D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE
Formula:	C13 H19 B Cl N2 O6
SMILES:	Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N
InChi:	InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

CLD

CLD
Name:	D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE
Formula:	C13 H19 B Cl N2 O6
SMILES:	Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)OCC(C(=O)O)N
InChi:	InChI=1S/C13H19BClN2O6/c1-8(18)17-12(6-9-2-4-10(15)5-3-9)14(21,22)23-7-11(16)13(19)20/h2-5,11-12,21-22H,6-7,16H2,1H3,(H,17,18)(H,19,20)/q-1/t11-,12+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	[(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](dihydroxy)(L-serinato-kappaO~3~)borate(1-)

0EG

0EG
Name:	N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide
Formula:	C17 H32 B N3 O6
SMILES:	O=C(NC(B(O)O)C(C)C)C1N(C(=O)C(NC(=O)OC(C)(C)C)C)CCC1
InChi:	InChI=1S/C17H32BN3O6/c1-10(2)13(18(25)26)20-14(22)12-8-7-9-21(12)15(23)11(3)19-16(24)27-17(4,5)6/h10-13,25-26H,7-9H2,1-6H3,(H,19,24)(H,20,22)/t11-,12-,13-/m0/s1
Synonyms:	N-tert-butyloxycarbonylalanylprolylvaline boronic acid
Definition date:	2008-09-14
Last modified:	2024-09-27
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide

MHC

MHC
Name:	3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE
Formula:	C14 H16 N2 O S
SMILES:	O=C(N3CCc2c1ccccc1nc2C3)CCS
InChi:	InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2
Definition date:	2002-12-06
Last modified:	2024-09-27
Identifier:	3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propane-1-thiol

CTB

CTB
Name:	N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID
Formula:	C7 H10 B N O3 S
SMILES:	O=C(NCB(O)O)Cc1sccc1
InChi:	InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)
Definition date:	2000-09-26
Last modified:	2024-09-27
Identifier:	{[(thiophen-2-ylacetyl)amino]methyl}boronic acid

CVB

CVB
Name:	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID
Formula:	C9 H9 B O4
SMILES:	O=C(O)C=Cc1ccc(B(O)O)cc1
InChi:	InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
Definition date:	2001-11-20
Last modified:	2024-09-27
Identifier:	(2E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid

CWV

CWV
Name:	[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid
Formula:	C15 H13 B N2 O2
SMILES:	B(O)(O)c3cccc(c2cc1ccnc(N)c1cc2)c3
InChi:	InChI=1S/C15H13BN2O2/c17-15-14-5-4-11(8-12(14)6-7-18-15)10-2-1-3-13(9-10)16(19)20/h1-9,19-20H,(H2,17,18)
Definition date:	2017-10-05
Last modified:	2024-09-27
Release date:	2018-03-21
Identifier:	[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid

CYC

CYC
Name:	PHYCOCYANOBILIN
Formula:	C33 H40 N4 O6
SMILES:	CC[CH]1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13-15,19-20,35H,7-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15-/t19-,20-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3R,4R)-4-ethyl-3-methyl-5-methylenepyrrolidin-2-one

CZ7

CZ7
Name:	({[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid
Formula:	C16 H19 B N4 O7
SMILES:	O=C2C(=O)N(C=CN2C(=O)NC(c1ccc(O)cc1)C(=O)NCB(O)O)CC
InChi:	InChI=1S/C16H19BN4O7/c1-2-20-7-8-21(15(25)14(20)24)16(26)19-12(13(23)18-9-17(27)28)10-3-5-11(22)6-4-10/h3-8,12,22,27-28H,2,9H2,1H3,(H,18,23)(H,19,26)/t12-/m1/s1
Definition date:	2010-04-20
Last modified:	2024-09-27
Identifier:	({[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl)boronic acid

CZ8

CZ8
Name:	({[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid
Formula:	C18 H25 B N4 O7
SMILES:	O=C(NCB(O)O)C(NC(=O)N1C(=O)C(=O)N(CC)CC1)CCc2ccc(O)cc2
InChi:	InChI=1S/C18H25BN4O7/c1-2-22-9-10-23(17(27)16(22)26)18(28)21-14(15(25)20-11-19(29)30)8-5-12-3-6-13(24)7-4-12/h3-4,6-7,14,24,29-30H,2,5,8-11H2,1H3,(H,20,25)(H,21,28)/t14-/m1/s1
Definition date:	2010-07-30
Last modified:	2024-09-27
Identifier:	({[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid

CZ9

CZ9
Name:	N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide
Formula:	C17 H23 B N4 O7
SMILES:	O=C(NCB(O)O)C(NC(=O)N1C(=O)C(=O)N(CC)CC1)Cc2ccc(O)cc2
InChi:	InChI=1S/C17H23BN4O7/c1-2-21-7-8-22(16(26)15(21)25)17(27)20-13(14(24)19-10-18(28)29)9-11-3-5-12(23)6-4-11/h3-6,13,23,28-29H,2,7-10H2,1H3,(H,19,24)(H,20,27)/t13-/m1/s1
Definition date:	2010-07-30
Last modified:	2024-09-27
Identifier:	N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide

WY2

WY2
Name:	(6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID
Formula:	C15 H13 N3 O4 S2
SMILES:	O=C(O)C1=NC=C(C(=O)O)C(SC1)c2nc3sc4c(n3c2)CCC4
InChi:	InChI=1S/C15H13N3O4S2/c19-13(20)7-4-16-9(14(21)22)6-23-12(7)8-5-18-10-2-1-3-11(10)24-15(18)17-8/h4-5,12H,1-3,6H2,(H,19,20)(H,21,22)/t12-/m1/s1
Definition date:	2003-08-21
Last modified:	2024-09-27
Identifier:	(7R)-7-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b][1,3]thiazol-2-yl)-2,7-dihydro-1,4-thiazepine-3,6-dicarboxylic acid

X3K

X3K
Name:	N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
Formula:	C16 H13 N3 O
SMILES:	C=CC(=O)Nc1cccc(c1)c2ccnc3[nH]ccc23
InChi:	InChI=1S/C16H13N3O/c1-2-15(20)19-12-5-3-4-11(10-12)13-6-8-17-16-14(13)7-9-18-16/h2-10H,1H2,(H,17,18)(H,19,20)
Synonyms:	N-(3-(1h-pyrrolo[2,3-B]pyridin-4-yl)phenyl)acrylamide
Definition date:	2023-05-31
Last modified:	2024-09-27
Release date:	2023-07-05
Identifier:	~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide

8Y0

8Y0
Name:	(E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine
Formula:	C41 H51 F3 N6 O5
SMILES:	OC(=O)CN=CC(=O)C=CCCCCCCCCCCCCn1nnc2c3ccccc3N(Cc4ccccc4c12)C(=O)CCCCCNC(=O)C(F)(F)F
InChi:	InChI=1S/C41H51F3N6O5/c42-41(43,44)40(55)46-26-18-11-13-25-36(52)49-30-31-20-14-15-22-33(31)39-38(34-23-16-17-24-35(34)49)47-48-50(39)27-19-10-8-6-4-2-1-3-5-7-9-12-21-32(51)28-45-29-37(53)54/h12,14-17,20-24,28H,1-11,13,18-19,25-27,29-30H2,(H,46,55)(H,53,54)/b21-12+,45-28+
Definition date:	2017-11-06
Last modified:	2024-09-27
Release date:	2017-11-22

X9H

X9H
Name:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
Formula:	C23 H20 N6 O
SMILES:	C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1
InChi:	InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1
Definition date:	2022-11-07
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide

SWH

SWH
Name:	{4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-)
Formula:	C24 H20 B F N O6 S
SMILES:	O=C1S/C(C(=O)N1Cc2ccc(F)cc2)=Cc4ccc(OCc3ccc(cc3)[B-](O)(O)O)cc4
InChi:	InChI=1S/C24H20BFNO6S/c26-20-9-3-17(4-10-20)14-27-23(28)22(34-24(27)29)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(30,31)32/h1-13,30-32H,14-15H2/q-1/b22-13-
Synonyms:	HA155 INHIBITOR
Definition date:	2010-09-14
Last modified:	2024-09-27
Identifier:	{4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-)

SY2

SY2
Name:	N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine
Formula:	C24 H41 N5 O6
SMILES:	O=C(O)C(NC(=O)NC(C(=O)NC1C(=O)NC(C=CC(=O)NCCCC1)C(C)C)C(C)C)C(C)C
InChi:	InChI=1S/C24H41N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h10-11,13-17,19-20H,7-9,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/t16-,17+,19+,20+/m1/s1
Synonyms:	Syringolin B
Definition date:	2009-03-30
Last modified:	2024-09-27
Identifier:	N-{[(1S)-2-methyl-1-{[(3E,5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine

SZI

SZI
Name:	[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
Formula:	C17 H14 B F6 N2 O3 S
SMILES:	O[B](O)(O)CSc1nc2ccccc2n1Cc3ccc(cc3C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C17H14BF6N2O3S/c19-16(20,21)11-6-5-10(12(7-11)17(22,23)24)8-26-14-4-2-1-3-13(14)25-15(26)30-9-18(27,28)29/h1-7,27-29H,8-9H2
Definition date:	2022-12-20
Last modified:	2024-09-27
Release date:	2024-07-10
Identifier:	[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-tris(oxidanyl)boron

T16

T16
Name:	BOROLOG2
Formula:	C23 H32 B Br2 N3 O6
SMILES:	O=C(NC(B(O)O)CCC(Br)Br)C2N(C(=O)C(NC(=O)CCCC=O)Cc1ccccc1)CCC2
InChi:	InChI=1S/C23H32BBr2N3O6/c25-20(26)12-11-19(24(34)35)28-22(32)18-9-6-13-29(18)23(33)17(15-16-7-2-1-3-8-16)27-21(31)10-4-5-14-30/h1-3,7-8,14,17-20,34-35H,4-6,9-13,15H2,(H,27,31)(H,28,32)/t17-,18-,19-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-(5-oxopentanoyl)-L-phenylalanyl-N-[(1R)-4,4-dibromo-1-(dihydroxyboranyl)butyl]-L-prolinamide

T29

T29
Name:	TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)
Formula:	C22 H34 B N5 O5 S
SMILES:	O=C(NC(B(O)O)CCCSC(=[N@H])N)C2N(C(=O)C(NC(=O)CC)Cc1ccccc1)CCC2
InChi:	InChI=1S/C22H34BN5O5S/c1-2-19(29)26-16(14-15-8-4-3-5-9-15)21(31)28-12-6-10-17(28)20(30)27-18(23(32)33)11-7-13-34-22(24)25/h3-5,8-9,16-18,32-33H,2,6-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t16-,17+,18+/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-propanoyl-D-phenylalanyl-N-[(1R)-4-(carbamimidoylsulfanyl)-1-(dihydroxyboranyl)butyl]-L-prolinamide

DCB

DCB
Name:	2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-BETA-D-CELLOBIOSIDE
Formula:	C18 H23 F N2 O14
SMILES:	[O-][N+](=O)c3ccc(OC2OC(C(OC1OC(C(O)C(O)C1O)CO)C(O)C2F)CO)c([N+]([O-])=O)c3
InChi:	InChI=1S/C18H23FN2O14/c19-11-13(25)16(35-18-15(27)14(26)12(24)9(4-22)33-18)10(5-23)34-17(11)32-8-2-1-6(20(28)29)3-7(8)21(30)31/h1-3,9-18,22-27H,4-5H2/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1
Synonyms:	2',4'-DINITROPHENYL-2DEOXY-2-FLURO-B-D-CELLOBIOSIDE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2,4-dinitrophenyl 2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

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