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KFB
KFB
Name:5-Aminovaleric Acid
Formula:C5 H11 N O2
SMILES:NCCCCC(O)=O
InChi:InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
Synonyms:5-aminopentanoic acid
Definition date:2019-05-17
Last modified:2024-09-27
Release date:2019-10-23
Identifier:5-azanylpentanoic acid
KFP
KFP
Name:N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine
Formula:C13 H19 N7 O3
SMILES:O=C(O)C(N)CCCCNCc2nc1c(N=C(N)NC1=O)nc2
InChi:InChI=1S/C13H19N7O3/c14-8(12(22)23)3-1-2-4-16-5-7-6-17-10-9(18-7)11(21)20-13(15)19-10/h6,8,16H,1-5,14H2,(H,22,23)(H3,15,17,19,20,21)/t8-/m1/s1
Definition date:2013-03-25
Last modified:2024-09-27
Release date:2013-04-24
Identifier:N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine
0M6
0M6
Name:N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide
Formula:C17 H27 N3 O3 S
SMILES:S=C(Nc1ccccc1)NC(C(=O)NC(CCO)CO)CC(C)C
InChi:InChI=1S/C17H27N3O3S/c1-12(2)10-15(16(23)18-14(11-22)8-9-21)20-17(24)19-13-6-4-3-5-7-13/h3-7,12,14-15,21-22H,8-11H2,1-2H3,(H,18,23)(H2,19,20,24)/t14-,15-/m0/s1
Synonyms:SNJ-1715, bound form
Definition date:2012-02-28
Last modified:2024-09-27
Identifier:N-[(2S)-1,4-dihydroxybutan-2-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide
0MG
0MG
Name:amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
Formula:C7 H15 N4 O3
SMILES:O=C(C(=O)O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C7H14N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4H,1-3,8H2,(H,13,14)(H4,9,10,11)/p+1/t4-/m0/s1
Definition date:2010-09-24
Last modified:2024-09-27
Identifier:amino{[(4S)-4-amino-5-carboxy-5-oxopentyl]amino}methaniminium
KGC
KGC
Name:N~6~-[(2R)-2-CARBOXY-5-OXOTETRAHYDROFURAN-2-YL]-L-LYSINE
Formula:C11 H18 N2 O6
SMILES:O=C(O)C1(OC(=O)CC1)NCCCCC(C(=O)O)N
InChi:InChI=1S/C11H18N2O6/c12-7(9(15)16)3-1-2-6-13-11(10(17)18)5-4-8(14)19-11/h7,13H,1-6,12H2,(H,15,16)(H,17,18)/t7-,11+/m0/s1
Definition date:2007-01-15
Last modified:2024-09-27
Identifier:N~6~-[(2R)-2-carboxy-5-oxotetrahydrofuran-2-yl]-L-lysine
KGH
KGH
Name:(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula:C7 H15 N O5
SMILES:N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3-,4+,5+,6-,7+/m0/s1
Definition date:2019-05-21
Last modified:2024-09-27
Release date:2020-07-08
Identifier:(1~{R},2~{S},3~{R},4~{R},5~{S},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
0MU
0MU
Name:(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:C16 H23 N3 O8 S
SMILES:CC(=O)OC[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)CCC[CH](N)C(O)=O)C=O
InChi:InChI=1S/C16H23N3O8S/c1-8(21)27-6-9-7-28-14(19-13(9)16(25)26)11(5-20)18-12(22)4-2-3-10(17)15(23)24/h5,9-11,14H,2-4,6-7,17H2,1H3,(H,18,22)(H,23,24)(H,25,26)/t9-,10+,11+,14+/m0/s1
Synonyms:CEPHALOSPORIN C, bound form
Definition date:2012-03-05
Last modified:2024-09-27
Release date:2017-07-12
Identifier:(2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
0N3
0N3
Name:3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
Formula:C9 H12 B N O6 S
SMILES:O=S(=O)(NCB(O)O)Cc1cccc(c1)C(=O)O
InChi:InChI=1S/C9H12BNO6S/c12-9(13)8-3-1-2-7(4-8)5-18(16,17)11-6-10(14)15/h1-4,11,14-15H,5-6H2,(H,12,13)
Definition date:2012-03-13
Last modified:2024-09-27
Release date:2012-09-21
Identifier:3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
KH0
KH0
Name:~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:C31 H41 N5 O7
SMILES:CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O
InChi:InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25-/m0/s1
Synonyms:(S,S,S)-13b
Definition date:2023-08-14
Last modified:2024-09-27
Release date:2023-08-23
Identifier:~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
0N4
0N4
Name:[({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Formula:C8 H10 B N5 O4 S
SMILES:O=S(=O)(c2ccc(c1nnnn1)cc2)NCB(O)O
InChi:InChI=1S/C8H10BN5O4S/c15-9(16)5-10-19(17,18)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15-16H,5H2,(H,11,12,13,14)
Definition date:2012-03-13
Last modified:2024-09-27
Release date:2012-09-21
Identifier:[({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
KH4
KH4
Name:S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1H-imidazole-4-carbothioate
Formula:C15 H25 N4 O8 P S
SMILES:O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ncnc1
InChi:InChI=1S/C15H25N4O8PS/c1-15(2,8-27-28(24,25)26)12(21)13(22)18-4-3-11(20)17-5-6-29-14(23)10-7-16-9-19-10/h7,9,12,21H,3-6,8H2,1-2H3,(H,16,19)(H,17,20)(H,18,22)(H2,24,25,26)/t12-/m0/s1
Definition date:2014-04-03
Last modified:2024-09-27
Release date:2014-07-23
Identifier:S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1H-imidazole-4-carbothioate
0NA
0NA
Name:[({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
Formula:C7 H9 B N6 O4 S
SMILES:O=S(=O)(c2cnc(c1nnnn1)cc2)NCB(O)O
InChi:InChI=1S/C7H9BN6O4S/c15-8(16)4-10-19(17,18)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15-16H,4H2,(H,11,12,13,14)
Definition date:2012-03-16
Last modified:2024-09-27
Release date:2012-09-21
Identifier:[({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
0NB
0NB
Name:[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Formula:C8 H9 B Cl N5 O4 S
SMILES:O=S(=O)(c2cc(Cl)c(c1nnnn1)cc2)NCB(O)O
InChi:InChI=1S/C8H9BClN5O4S/c10-7-3-5(20(18,19)11-4-9(16)17)1-2-6(7)8-12-14-15-13-8/h1-3,11,16-17H,4H2,(H,12,13,14,15)
Definition date:2012-03-16
Last modified:2024-09-27
Release date:2012-09-21
Identifier:[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
0NC
0NC
Name:N-methyl-L-alaninamide
Formula:C4 H10 N2 O
SMILES:O=C(NC)C(N)C
InChi:InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m0/s1
Definition date:2008-03-31
Last modified:2024-09-27
Identifier:N-methyl-L-alaninamide
0ND
0ND
Name:[({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Formula:C8 H9 B Cl N5 O4 S
SMILES:O=S(=O)(c2c(Cl)cc(c1nnnn1)cc2)NCB(O)O
InChi:InChI=1S/C8H9BClN5O4S/c10-6-3-5(8-12-14-15-13-8)1-2-7(6)20(18,19)11-4-9(16)17/h1-3,11,16-17H,4H2,(H,12,13,14,15)
Definition date:2012-03-16
Last modified:2024-09-27
Release date:2012-09-21
Identifier:[({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
0NE
0NE
Name:[({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
Formula:C9 H9 B F3 N5 O4 S
SMILES:O=S(=O)(c2c(cc(c1nnnn1)cc2)C(F)(F)F)NCB(O)O
InChi:InChI=1S/C9H9BF3N5O4S/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)23(21,22)14-4-10(19)20/h1-3,14,19-20H,4H2,(H,15,16,17,18)
Definition date:2012-03-16
Last modified:2024-09-27
Release date:2012-09-21
Identifier:[({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
0NG
0NG
Name:({[(chloromethyl)sulfonyl]amino}methyl)boronic acid
Formula:C2 H7 B Cl N O4 S
SMILES:ClCS(=O)(=O)NCB(O)O
InChi:InChI=1S/C2H7BClNO4S/c4-2-10(8,9)5-1-3(6)7/h5-7H,1-2H2
Definition date:2012-03-16
Last modified:2024-09-27
Release date:2012-09-21
Identifier:({[(chloromethyl)sulfonyl]amino}methyl)boronic acid
KHR
KHR
Name:3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine
Formula:C21 H20 F N5 O4 S
SMILES:COc1ccc(cc1O[S](F)(=O)=O)c2c(C)nn3c(NCc4ccncc4)cc(C)nc23
InChi:InChI=1S/C21H20FN5O4S/c1-13-10-19(24-12-15-6-8-23-9-7-15)27-21(25-13)20(14(2)26-27)16-4-5-17(30-3)18(11-16)31-32(22,28)29/h4-11,24H,12H2,1-3H3
Definition date:2023-08-14
Last modified:2024-09-27
Release date:2023-12-13
Identifier:3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine
KI1
KI1
Name:1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one
Formula:C15 H17 Cl F3 N O2 S
SMILES:O=C(N2CCC(O)(c1ccc(Cl)c(c1)C(F)(F)F)CC2)CCS
InChi:InChI=1S/C15H17ClF3NO2S/c16-12-2-1-10(9-11(12)15(17,18)19)14(22)4-6-20(7-5-14)13(21)3-8-23/h1-2,9,22-23H,3-8H2
Definition date:2013-01-08
Last modified:2024-09-27
Release date:2013-03-06
Identifier:1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one
KI2
KI2
Name:3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC ACID
Formula:C18 H19 N O5
SMILES:O=C(O)C(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1
Definition date:2002-12-23
Last modified:2024-09-27
Identifier:(2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid
KI7
KI7
Name:3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine
Formula:C22 H20 F2 N4 O7 S2
SMILES:COc1ccc(cc1O[S](F)(=O)=O)c2c(C)nn3c(NCc4ccc(O[S](F)(=O)=O)cc4)cc(C)nc23
InChi:InChI=1S/C22H20F2N4O7S2/c1-13-10-20(25-12-15-4-7-17(8-5-15)34-36(23,29)30)28-22(26-13)21(14(2)27-28)16-6-9-18(33-3)19(11-16)35-37(24,31)32/h4-11,25H,12H2,1-3H3
Definition date:2023-08-14
Last modified:2024-09-27
Release date:2023-12-13
Identifier:3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine
0OB
0OB
Name:3-(1-benzothiophen-2-yl)propanoic acid
Formula:C11 H10 O2 S
SMILES:O=C(O)CCc2sc1ccccc1c2
InChi:InChI=1S/C11H10O2S/c12-11(13)6-5-9-7-8-3-1-2-4-10(8)14-9/h1-4,7H,5-6H2,(H,12,13)
Definition date:2012-03-30
Last modified:2024-09-27
Release date:2012-10-05
Identifier:3-(1-benzothiophen-2-yl)propanoic acid
KIH
KIH
Name:3-(3,4-dimethoxyphenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine
Formula:C23 H23 F N4 O5 S
SMILES:COc1ccc(cc1OC)c2c(C)nn3c(NCc4ccc(O[S](F)(=O)=O)cc4)cc(C)nc23
InChi:InChI=1S/C23H23FN4O5S/c1-14-11-21(25-13-16-5-8-18(9-6-16)33-34(24,29)30)28-23(26-14)22(15(2)27-28)17-7-10-19(31-3)20(12-17)32-4/h5-12,25H,13H2,1-4H3
Definition date:2023-08-14
Last modified:2024-09-27
Release date:2023-12-13
Identifier:3-(3,4-dimethoxyphenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine
KIK
KIK
Name:(4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one
Formula:C5 H9 N O2
SMILES:N[CH](CO)C(=O)C=C
InChi:InChI=1S/C5H9NO2/c1-2-5(8)4(6)3-7/h2,4,7H,1,3,6H2/t4-/m0/s1
Definition date:2016-08-23
Last modified:2024-09-27
Release date:2017-01-18
Identifier:(4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one
KJ0
KJ0
Name:N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide
Formula:C30 H40 N4 O6
SMILES:O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NC5CC5
InChi:InChI=1S/C30H40N4O6/c35-26(30(39)32-21-12-13-21)22(16-20-10-6-14-31-27(20)36)33-28(37)23(15-18-7-2-1-3-8-18)34-29(38)25-17-19-9-4-5-11-24(19)40-25/h4-5,9,11,17-18,20-23,26,35H,1-3,6-8,10,12-16H2,(H,31,36)(H,32,39)(H,33,37)(H,34,38)/t20-,22-,23-,26-/m0/s1
Definition date:2022-09-22
Last modified:2024-09-27
Release date:2023-09-20
Identifier:~{N}-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{S})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide

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