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BJI
BJI
Name:1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Formula:C11 H14 B N O5
SMILES:O=C(O)c1cc(ccc1)CC(NC(=O)C)B(O)O
InChi:InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
Definition date:2000-04-17
Last modified:2024-09-27
Identifier:3-[(2R)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]benzoic acid
BJP
BJP
Name:(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Formula:C17 H18 B N O5
SMILES:O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccccc2)B(O)O
InChi:InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1
Definition date:2000-04-19
Last modified:2024-09-27
Identifier:3-{(2R)-2-(dihydroxyboranyl)-2-[(phenylacetyl)amino]ethyl}benzoic acid
IGS
IGS
Name:~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide
Formula:C32 H28 F2 N8 O4 S
SMILES:CCC(=O)NCCCOc1n[nH]c2ncc(cc12)c3cn(nn3)c4c(F)ccc(N[S](=O)(=O)c5cccc(c5)c6ccccc6)c4F
InChi:InChI=1S/C32H28F2N8O4S/c1-2-28(43)35-14-7-15-46-32-24-17-22(18-36-31(24)38-39-32)27-19-42(41-37-27)30-25(33)12-13-26(29(30)34)40-47(44,45)23-11-6-10-21(16-23)20-8-4-3-5-9-20/h3-6,8-13,16-19,40H,2,7,14-15H2,1H3,(H,35,43)(H,36,38,39)
Definition date:2022-06-30
Last modified:2024-09-27
Release date:2023-08-09
Identifier:~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide
IGV
IGV
Name:~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide
Formula:C33 H28 F2 N8 O4 S
SMILES:CCC(=O)N1CC[CH](C1)Oc2n[nH]c3ncc(cc23)c4cn(nn4)c5c(F)ccc(N[S](=O)(=O)c6cccc(c6)c7ccccc7)c5F
InChi:InChI=1S/C33H28F2N8O4S/c1-2-29(44)42-14-13-23(18-42)47-33-25-16-22(17-36-32(25)38-39-33)28-19-43(41-37-28)31-26(34)11-12-27(30(31)35)40-48(45,46)24-10-6-9-21(15-24)20-7-4-3-5-8-20/h3-12,15-17,19,23,40H,2,13-14,18H2,1H3,(H,36,38,39)/t23-/m0/s1
Definition date:2022-06-30
Last modified:2024-09-27
Release date:2023-08-09
Identifier:~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide
IH7
IH7
Name:~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
Formula:C28 H24 Br Cl2 N7 O4
SMILES:C[CH](Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N)c5c(Cl)cncc5Cl
InChi:InChI=1S/C28H24BrCl2N7O4/c1-16(26-20(30)12-33-13-21(26)31)42-24-9-25(34-11-17(24)10-32)36-28(40)18-14-38(3-2-37-4-6-41-7-5-37)23-8-19(29)22(15-39)35-27(18)23/h8-9,11-16H,2-7H2,1H3,(H,34,36,40)/t16-/m1/s1
Definition date:2022-06-30
Last modified:2024-09-27
Release date:2022-11-16
Identifier:~{N}-[4-[1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
BLA
BLA
Name:BILIVERDINE IX ALPHA
Formula:C33 H34 N4 O6
SMILES:Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C)C=C
InChi:InChI=1S/C33H34N4O6/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/h7-8,13-15,34H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,29-15-
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:3-{2-((Z)-{3-(2-carboxyethyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2H-pyrrol-2-ylidene}methyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
BLE
BLE
Name:LEUCINE BORONIC ACID
Formula:C5 H14 B N O2
SMILES:OB(O)C(N)CC(C)C
InChi:InChI=1S/C5H14BNO2/c1-4(2)3-5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t5-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:[(1R)-1-amino-3-methylbutyl]boronic acid
BMA
BMA
Name:beta-D-mannopyranose
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-mannose
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:beta-D-mannopyranose
IIQ
IIQ
Name:~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-propyl-pyrrolo[3,2-b]pyridine-3-carboxamide
Formula:C21 H22 N6 O3
SMILES:CCCn1cc(C(=O)Nc2cc(NCCOC)c(cn2)C#N)c3nc(C=O)ccc13
InChi:InChI=1S/C21H22N6O3/c1-3-7-27-12-16(20-18(27)5-4-15(13-28)25-20)21(29)26-19-9-17(23-6-8-30-2)14(10-22)11-24-19/h4-5,9,11-13H,3,6-8H2,1-2H3,(H2,23,24,26,29)
Definition date:2022-07-01
Last modified:2024-09-27
Release date:2022-11-16
Identifier:~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-propyl-pyrrolo[3,2-b]pyridine-3-carboxamide
IIW
IIW
Name:6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
Formula:C24 H26 Br N7 O4
SMILES:COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N
InChi:InChI=1S/C24H26BrN7O4/c1-35-7-2-27-19-11-22(28-13-16(19)12-26)30-24(34)17-14-32(4-3-31-5-8-36-9-6-31)21-10-18(25)20(15-33)29-23(17)21/h10-11,13-15H,2-9H2,1H3,(H2,27,28,30,34)
Definition date:2022-07-01
Last modified:2024-09-27
Release date:2022-11-16
Identifier:6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
BNO
BNO
Name:NORLEUCINE BORONIC ACID
Formula:C5 H14 B N O2
SMILES:OB(O)C(N)CCCC
InChi:InChI=1S/C5H14BNO2/c1-2-3-4-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:[(1R)-1-aminopentyl]boronic acid
BO2
BO2
Name:N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
Formula:C19 H25 B N4 O4
SMILES:O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc1ccccc1)c2nccnc2
InChi:InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
Synonyms:BORTEZOMIB
Definition date:2006-01-06
Last modified:2024-09-27
Identifier:N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-Nalpha-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide
BO4
BO4
Name:BORATE ION
Formula:B H4 O4
SMILES:O[B-](O)(O)O
InChi:InChI=1S/BH4O4/c2-1(3,4)5/h2-5H/q-1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:tetrahydroxyborate(1-)
BO8
BO8
Name:(D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID
Formula:C9 H20 B N2 O6
SMILES:O=C(NC(C)[B-](O)(O)O)CCCCC(C(=O)O)N
InChi:InChI=1S/C9H20BN2O6/c1-6(10(16,17)18)12-8(13)5-3-2-4-7(11)9(14)15/h6-7,16-18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/q-1/t6-,7-/m1/s1
Definition date:2010-05-04
Last modified:2024-09-27
Identifier:[(1S)-1-{[(6R)-6-amino-6-carboxyhexanoyl]amino}ethyl](trihydroxy)borate(1-)
BO9
BO9
Name:N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE
Formula:C26 H41 B N4 O10
SMILES:O=C(OC(C)(C)C)NC(C(=O)O)CCC(=O)NC(C(=O)NC(B(O)O)C)CCCCNC(=O)OCc1ccccc1
InChi:InChI=1S/C26H41BN4O10/c1-17(27(38)39)29-22(33)19(12-8-9-15-28-24(36)40-16-18-10-6-5-7-11-18)30-21(32)14-13-20(23(34)35)31-25(37)41-26(2,3)4/h5-7,10-11,17,19-20,38-39H,8-9,12-16H2,1-4H3,(H,28,36)(H,29,33)(H,30,32)(H,31,37)(H,34,35)/t17-,19+,20+/m1/s1
Synonyms:BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA
Definition date:2005-04-18
Last modified:2024-09-27
Identifier:N-(tert-butoxycarbonyl)-L-gamma-glutamyl-N~6~-[(benzyloxy)carbonyl]-N-[(1S)-1-(dihydroxyboranyl)ethyl]-L-lysinamide
IKJ
IKJ
Name:(2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid
Formula:C13 H21 B N O2 P
SMILES:B[PH]1(CCCC1)c2ccc(C[CH](N)C(O)=O)cc2
InChi:InChI=1S/C13H21BNO2P/c14-18(7-1-2-8-18)11-5-3-10(4-6-11)9-12(15)13(16)17/h3-6,12,18H,1-2,7-9,14-15H2,(H,16,17)/t12-/m0/s1
Synonyms:P3F
Definition date:2022-07-07
Last modified:2024-09-27
Release date:2023-07-26
Identifier:(2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid
BOR
BOR
Name:(1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID
Formula:C5 H15 B N4 O2
SMILES:OB(O)C(N)CCCNC(=[N@H])N
InChi:InChI=1S/C5H15BN4O2/c7-4(6(11)12)2-1-3-10-5(8)9/h4,11-12H,1-3,7H2,(H4,8,9,10)/t4-/m0/s1
Synonyms:BORO ARGININE
Definition date:2003-03-24
Last modified:2024-09-27
Identifier:[(1R)-1-amino-4-carbamimidamidobutyl]boronic acid
IL7
IL7
Name:4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide
Formula:C34 H44 Cl N3 O3 Si
SMILES:CN=C1C=CC2=C(c3ccc(cc3C)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1
InChi:InChI=1S/C34H44ClN3O3Si/c1-24-21-25(34(39)38-16-18-41-20-19-40-17-8-6-5-7-15-35)9-12-28(24)33-29-13-10-26(36)22-31(29)42(3,4)32-23-27(37-2)11-14-30(32)33/h9-14,21-23H,5-8,15-20,36H2,1-4H3,(H,38,39)/b37-27+
Synonyms:HaloTag with Me-TRaQ-G ligand
Definition date:2022-03-31
Last modified:2024-09-27
Release date:2023-02-01
Identifier:4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide
ILJ
ILJ
Name:(E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium
Formula:C34 H43 Cl N3 O5 Si
SMILES:C[NH+]=C1C=CC2=C(c3cc(ccc3C(O)=O)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1
InChi:InChI=1S/C34H42ClN3O5Si/c1-37-25-10-13-28-31(22-25)44(2,3)30-21-24(36)9-12-27(30)32(28)29-20-23(8-11-26(29)34(40)41)33(39)38-15-17-43-19-18-42-16-7-5-4-6-14-35/h8-13,20-22H,4-7,14-19,36H2,1-3H3,(H,38,39)(H,40,41)/p+1/b37-25+
Synonyms:HaloTag with TRaQ-G-ctrl ligand
Definition date:2022-03-31
Last modified:2024-09-27
Release date:2023-02-01
Identifier:(~{E})-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium
ILQ
ILQ
Name:(10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide
Formula:C35 H42 Cl N5 O4 Si
SMILES:CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl
InChi:InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)35(29)30-20-24(8-11-27(30)34(43)41(35)23-37)33(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22,39H,4-7,14-19,38H2,1-3H3,(H,40,42)/t35-/m1/s1
Definition date:2022-04-06
Last modified:2024-09-27
Release date:2023-02-01
Identifier:(10~{R})-7-azanyl-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide
ILU
ILU
Name:[7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium
Formula:C35 H43 Cl N5 O4 Si
SMILES:C[NH+]=C1C=CC2=C(c3ccc(N)cc3[Si](C)(C)C2=C1)c4cc(ccc4C(=O)NC#N)C(=O)NCCOCCOCCCCCCCl
InChi:InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)33(29)30-20-24(8-11-27(30)35(43)41-23-37)34(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22H,4-7,14-19,38H2,1-3H3,(H,40,42)(H,41,43)/p+1/b39-26+
Definition date:2022-04-06
Last modified:2024-09-27
Release date:2023-02-01
Identifier:[7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium
BPR
BPR
Name:(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE
Formula:C9 H17 B N2 O3
SMILES:O=C(N1C(B(O)O)CCC1)C2NCCC2
InChi:InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1
Definition date:2005-08-19
Last modified:2024-09-27
Identifier:[(2R)-1-L-prolylpyrrolidin-2-yl]boronic acid
JW1
JW1
Name:{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid
Formula:C11 H16 B N O4
SMILES:c1ccc(B(O)O)cc1NC(=O)OC(C)(C)C
InChi:InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
Definition date:2016-09-28
Last modified:2024-09-27
Release date:2017-01-11
Identifier:{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid
JW3
JW3
Name:(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid
Formula:C12 H12 B N O4
SMILES:O=C(c1cc(B(O)O)ccc1)NCc2occc2
InChi:InChI=1S/C12H12BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1-7,16-17H,8H2,(H,14,15)
Definition date:2016-09-28
Last modified:2024-09-27
Release date:2017-01-11
Identifier:(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid
JW8
JW8
Name:{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid
Formula:C9 H12 B N O4 S
SMILES:c1(ccc(B(O)O)cc1)S(=O)(N2CCC2)=O
InChi:InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)16(14,15)11-6-1-7-11/h2-5,12-13H,1,6-7H2
Definition date:2016-09-28
Last modified:2024-09-27
Release date:2017-01-11
Identifier:{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid

238582

数据于2025-07-09公开中

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