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BU2
BU2
Name:1,3-BUTANEDIOL
Formula:C4 H10 O2
SMILES:OCCC(O)C
InChi:InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
Definition date:2002-05-16
Last modified:2024-09-27
Identifier:(3S)-butane-1,3-diol
BUB
BUB
Name:1-BUTANE BORONIC ACID
Formula:C4 H11 B O2
SMILES:OB(O)CCCC
InChi:InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:butylboronic acid
BUC
BUC
Name:S,S-BUTYLTHIOCYSTEINE
Formula:C7 H15 N O2 S2
SMILES:O=C(O)C(N)CSSCCCC
InChi:InChI=1S/C7H15NO2S2/c1-2-3-4-11-12-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:3-(butyldisulfanyl)-L-alanine
BUK
BUK
Name:N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]AMINO}CARBONYL)ASPARAGINYL-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[2,3-DIHYDRO-1,3-THIAZOL-2-YL(HYDROXY)METHYL]BUTYL}VALINAMIDE
Formula:C27 H42 Br N9 O5 S
SMILES:Brc1ccc(cc1)C(NC(=O)NC(C(=O)NC(C(=O)NC(C(O)C2SC=CN2)CCCNC(=[N@H])N)C(C)C)CC(=O)N)C
InChi:InChI=1S/C27H42BrN9O5S/c1-14(2)21(24(41)35-18(5-4-10-33-26(30)31)22(39)25-32-11-12-43-25)37-23(40)19(13-20(29)38)36-27(42)34-15(3)16-6-8-17(28)9-7-16/h6-9,11-12,14-15,18-19,21-22,25,32,39H,4-5,10,13H2,1-3H3,(H2,29,38)(H,35,41)(H,37,40)(H4,30,31,33)(H2,34,36,42)/t15-,18+,19+,21+,22+,25+/m1/s1
Synonyms:N-((R)-1-(4-BROMOPHENYL)ETHYL)UREA-ASN-VAL-ARG-ALPHA-KETOTHIAZOLE
Definition date:2005-06-09
Last modified:2024-09-27
Identifier:N~2~-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-L-asparaginyl-N-{(1S)-4-carbamimidamido-1-[(S)-(2S)-2,3-dihydro-1,3-thiazol-2-yl(hydroxy)methyl]butyl}-L-valinamide
BVH
BVH
Name:(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
Formula:C8 H14 O2
SMILES:C1(CCC(C=C)CC1O)O
InChi:InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m0/s1
Definition date:2016-11-11
Last modified:2024-09-27
Release date:2017-10-11
Identifier:(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
BVK
BVK
Name:2-[4-(aminomethyl)phenyl]ethanoic acid
Formula:C9 H11 N O2
SMILES:NCc1ccc(CC(O)=O)cc1
InChi:InChI=1S/C9H11NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
Definition date:2017-10-16
Last modified:2024-09-27
Release date:2018-02-28
Identifier:2-[4-(aminomethyl)phenyl]ethanoic acid
BVZ
BVZ
Name:[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide
Formula:C21 H25 B N3 O5 S
SMILES:O[B-](O)(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34
InChi:InChI=1S/C21H25BN3O5S/c26-22(27,28)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)31(29,30)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-28H,4,11-14,16H2/q-1
Definition date:2017-10-19
Last modified:2024-09-27
Release date:2018-10-31
Identifier:[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide
BW5
BW5
Name:(2~{S})-3-(1-adamantyl)-2-azanyl-propanoic acid
Formula:C13 H21 N O2
SMILES:N[CH](CC12CC3CC(CC(C3)C1)C2)C(O)=O
InChi:InChI=1S/C13H21NO2/c14-11(12(15)16)7-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11H,1-7,14H2,(H,15,16)/t8-,9+,10-,11-,13-/m0/s1
Definition date:2017-10-19
Last modified:2024-09-27
Release date:2018-08-08
Identifier:(2~{S})-3-(1-adamantyl)-2-azanyl-propanoic acid
BWF
BWF
Name:(2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
Formula:C8 H11 N O5
SMILES:OC(=O)C=C(O)[CH]1CCCN1C(O)=O
InChi:InChI=1S/C8H11NO5/c10-6(4-7(11)12)5-2-1-3-9(5)8(13)14/h4-5,10H,1-3H2,(H,11,12)(H,13,14)/b6-4-/t5-/m0/s1
Definition date:2019-03-20
Last modified:2024-09-27
Release date:2020-12-30
Identifier:(2~{S})-2-[(~{Z})-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
BWL
BWL
Name:(2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
Formula:C28 H34 F3 N3 O4
SMILES:CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)C=C(O)[CH]3CCCN3C(O)=O
InChi:InChI=1S/C28H34F3N3O4/c1-3-32(4-2)16-17-33(26(36)18-25(35)24-6-5-15-34(24)27(37)38)19-20-7-9-21(10-8-20)22-11-13-23(14-12-22)28(29,30)31/h7-14,18,24,35H,3-6,15-17,19H2,1-2H3,(H,37,38)/b25-18-/t24-/m0/s1
Definition date:2019-03-20
Last modified:2024-09-27
Release date:2020-12-30
Identifier:(2~{S})-2-[(~{Z})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
BWO
BWO
Name:(2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
Formula:C30 H35 F6 N3 O5
SMILES:CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)C=C(O)[CH]3CCCN3C(O)=O
InChi:InChI=1S/C30H35F6N3O5/c1-3-37(4-2)14-15-38(27(41)17-25(40)24-6-5-13-39(24)28(42)43)18-20-7-9-21(10-8-20)23-12-11-22(30(34,35)36)16-26(23)44-19-29(31,32)33/h7-12,16-17,24,40H,3-6,13-15,18-19H2,1-2H3,(H,42,43)/b25-17+/t24-/m0/s1
Definition date:2019-03-20
Last modified:2024-09-27
Release date:2020-12-30
Identifier:(2~{S})-2-[(~{E})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
BX0
BX0
Name:(3aR,5S,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-8-oxidanyl-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Formula:C15 H20 O3
SMILES:C[CH]1CC[CH](O)[C]2(C)C[CH]3OC(=O)C(=C)[CH]3C=C12
InChi:InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3/t8-,10+,12+,13+,15+/m0/s1
Synonyms:1beta-Hydroxyalantolactone
Definition date:2022-03-31
Last modified:2024-09-27
Release date:2022-05-04
Identifier:(3~{a}~{R},5~{S},8~{R},8~{a}~{R},9~{a}~{R})-5,8~{a}-dimethyl-3-methylidene-8-oxidanyl-5,6,7,8,9,9~{a}-hexahydro-3~{a}~{H}-benzo[f][1]benzofuran-2-one
BXA
BXA
Name:bromoacetic acid
Formula:C2 H3 Br O2
SMILES:BrCC(=O)O
InChi:InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
Definition date:2010-07-21
Last modified:2024-09-27
Identifier:bromoacetic acid
BXF
BXF
Name:2-deoxy-2-fluoro-beta-D-xylopyranose
Formula:C5 H9 F O4
SMILES:FC1C(O)C(O)COC1O
InChi:InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5-/m1/s1
Synonyms:2-deoxy-2-fluoro-beta-D-xylose
Definition date:2012-03-09
Last modified:2024-09-27
Release date:2013-03-06
Identifier:2-deoxy-2-fluoro-beta-D-xylopyranose
BXT
BXT
Name:(2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid
Formula:C7 H14 N2 O4
SMILES:CCN(C)C(=O)OC[CH](N)C(O)=O
InChi:InChI=1S/C7H14N2O4/c1-3-9(2)7(12)13-4-5(8)6(10)11/h5H,3-4,8H2,1-2H3,(H,10,11)/t5-/m0/s1
Definition date:2017-10-30
Last modified:2024-09-27
Release date:2018-08-29
Identifier:(2~{S})-2-azanyl-3-[ethyl(methyl)carbamoyl]oxy-propanoic acid
BY1
BY1
Name:3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Formula:C10 H9 N O2 S
SMILES:O=S(=O)(C=CC#N)c1ccc(cc1)C
InChi:InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3
Synonyms:BAY 11-7082
Definition date:2014-02-07
Last modified:2024-09-27
Release date:2015-05-06
Identifier:3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
BY2
BY2
Name:[3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate
Formula:C14 H22 N2 O3
SMILES:CCN(C)C(=O)Oc1ccc(O)c(c1)[CH](C)N(C)C
InChi:InChI=1S/C14H22N2O3/c1-6-16(5)14(18)19-11-7-8-13(17)12(9-11)10(2)15(3)4/h7-10,17H,6H2,1-5H3/t10-/m1/s1
Definition date:2017-10-30
Last modified:2024-09-27
Release date:2018-11-14
Identifier:[3-[(1~{R})-1-(dimethylamino)ethyl]-4-oxidanyl-phenyl] ~{N}-ethyl-~{N}-methyl-carbamate
BYR
BYR
Name:3-bromo-L-tyrosine
Formula:C9 H10 Br N O3
SMILES:Brc1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Definition date:2013-12-17
Last modified:2024-09-27
Release date:2015-08-19
Identifier:3-bromo-L-tyrosine
BZB
BZB
Name:BENZO[B]THIOPHENE-2-BORONIC ACID
Formula:C8 H7 B O2 S
SMILES:OB(O)c2sc1ccccc1c2
InChi:InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
Definition date:1999-08-05
Last modified:2024-09-27
Identifier:1-benzothiophen-2-ylboronic acid
BZK
BZK
Name:(2S, 4S, 6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic acid
Formula:C11 H21 N O4
SMILES:CCC(=O)C[CH](O)C[CH](C)C[CH](N)C(O)=O
InChi:InChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1
Definition date:2017-11-01
Last modified:2024-09-27
Release date:2018-07-18
Identifier:(2~{S},4~{S},6~{S})-2-azanyl-4-methyl-6-oxidanyl-8-oxidanylidene-decanoic acid
C0F
C0F
Name:(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Formula:C12 H14 N4 O3 S
SMILES:N[CH](Cc1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O
InChi:InChI=1S/C12H14N4O3S/c13-7(10(14)17)3-6-1-2-15-8(4-6)11-16-9(5-20-11)12(18)19/h1-2,4,7,9H,3,5,13H2,(H2,14,17)(H,18,19)/t7-,9-/m0/s1
Definition date:2019-04-03
Last modified:2024-09-27
Release date:2019-06-26
Identifier:(4~{R})-2-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
C0O
C0O
Name:(~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic acid
Formula:C7 H12 N2 O4
SMILES:N[CH](CC=C[CH](N)C(O)=O)C(O)=O
InChi:InChI=1S/C7H12N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h1-2,4-5H,3,8-9H2,(H,10,11)(H,12,13)/b2-1-/t4-,5+/m1/s1
Definition date:2019-04-03
Last modified:2024-09-27
Release date:2020-01-15
Identifier:(~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic acid
C0S
C0S
Name:1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
Formula:C15 H11 F6 N3 O3
SMILES:N3(CC(c2nc(c1ccccc1)no2)C3)C(OC(C(F)(F)F)C(F)(F)F)=O
InChi:InChI=1S/C15H11F6N3O3/c16-14(17,18)12(15(19,20)21)26-13(25)24-6-9(7-24)11-22-10(23-27-11)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
Definition date:2017-09-07
Last modified:2024-09-27
Release date:2017-12-27
Identifier:1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
C11
C11
Name:UNDECYL-PHOSPHINIC ACID BUTYL ESTER
Formula:C15 H33 O2 P
SMILES:O=P(OCCCC)CCCCCCCCCCC
InChi:InChI=1S/C15H33O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h18H,3-15H2,1-2H3
Definition date:2001-10-29
Last modified:2024-09-27
Identifier:butyl (R)-undecylphosphinate
C12
C12
Name:2-(1-AMINO-2-HYDROXYPROPYL)-4-(4-HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-IMIDAZOL-5-OLATE
Formula:C15 H18 N3 O5
SMILES:[O-]c1c(nc(n1CC=O)C(N)C(O)C)Cc2ccc(O)cc2
InChi:InChI=1S/C15H19N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,13,19-20,23H,6-7,16H2,1H3,(H,21,22)/p-1/t8-,13+/m1/s1
Synonyms:PEPTIDE DERIVED CHROMOPHORE
Definition date:2006-02-23
Last modified:2024-09-27
Identifier:2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1H-imidazol-5-olate

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