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2MT
2MT
Name:(4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
Formula:C6 H11 N O2 S
SMILES:O=C(O)C1NC(SC1)(C)C
InChi:InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
Synonyms:2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
Definition date:2004-02-16
Last modified:2024-09-27
Identifier:(4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
2N2
2N2
Name:2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid
Formula:C27 H26 N2 O7 S
SMILES:O=CCCCCCNC(=S)Nc1ccc(c(C(=O)O)c1)C3c4c(Oc2c3ccc(O)c2)cc(O)cc4
InChi:InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37)
Definition date:2013-12-05
Last modified:2024-09-27
Release date:2014-02-26
Identifier:2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid
46Z
46Z
Name:(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate
Formula:C12 H16 F O7 P
SMILES:O=P(O)(OC1OC(O)C(F)C1O)OCCc2ccccc2
InChi:InChI=1S/C12H16FO7P/c13-9-10(14)12(19-11(9)15)20-21(16,17)18-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-15H,6-7H2,(H,16,17)/t9-,10-,11-,12+/m0/s1
Synonyms:Inhibitor CZ-46 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
Definition date:2011-05-12
Last modified:2024-09-27
Identifier:(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate
2NF
2NF
Name:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate
Formula:C21 H26 F N7 O13 P2
SMILES:NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F
InChi:InChI=1S/C21H26FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H5-,23,24,25,26,33,34,35,36,37)/t10-,11-,12-,14-,15-,16-,20-,21-/m1/s1
Synonyms:nicotinamide 2'-deoxy-2'-fluororibofuranosyl adenine dinucleotide
Definition date:2009-03-27
Last modified:2024-09-27
Identifier:[(2R,3R,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
2NO
2NO
Name:NITROGEN DIOXIDE
Formula:N O2
SMILES:ON=O
InChi:InChI=1S/HNO2/c2-1-3/h(H,2,3)
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:nitrous acid
47J
47J
Name:1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine
Formula:C6 H11 N3
SMILES:n1c(cc(n1C)CN)C
InChi:InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3
Definition date:2015-02-11
Last modified:2024-09-27
Release date:2016-03-02
Identifier:1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine
2ON
2ON
Name:2-sulfanyl-1,9-dihydro-6H-purin-6-one
Formula:C5 H4 N4 O S
SMILES:O=C1c2ncnc2N=C(S)N1
InChi:InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
Definition date:2014-04-23
Last modified:2024-09-27
Release date:2015-04-01
Identifier:2-sulfanyl-1,9-dihydro-6H-purin-6-one
2OP
2OP
Name:(2S)-2-HYDROXYPROPANOIC ACID
Formula:C3 H6 O3
SMILES:O=C(O)C(O)C
InChi:InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
Definition date:2004-12-29
Last modified:2024-09-27
Identifier:(2S)-2-hydroxypropanoic acid
2OR
2OR
Name:amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
Formula:C6 H15 N4 O4
SMILES:O=C(O)C(N)C(O)C(O)CNC(=[NH2+])N
InChi:InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1
Definition date:2013-08-28
Last modified:2024-09-27
Release date:2014-06-25
Identifier:amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium
2OY
2OY
Name:N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form)
Formula:C14 H23 Cl N2 O3 S
SMILES:O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C
InChi:InChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1
Synonyms:Tosyllysine Chloromethyl Ketone (Bound Form)
Definition date:2013-12-19
Last modified:2024-09-27
Release date:2014-04-23
Identifier:N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide
2P2
2P2
Name:1-[(2R,5S)-2-tert-butyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Formula:C25 H38 N2 O4
SMILES:O=C(N2C(C(=O)N1C(C(O)CO)CCC1)CCC2C(C)(C)C)CCCc3ccccc3
InChi:InChI=1S/C25H38N2O4/c1-25(2,3)22-15-14-20(24(31)26-16-8-12-19(26)21(29)17-28)27(22)23(30)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,19-22,28-29H,7-8,11-17H2,1-3H3/t19-,20-,21-,22+/m0/s1
Definition date:2012-03-15
Last modified:2024-09-27
Identifier:(1R)-1-{(2S)-1-[(5R)-5-tert-butyl-1-(4-phenylbutanoyl)-L-prolyl]pyrrolidin-2-yl}ethane-1,2-diol
2P3
2P3
Name:5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Formula:C10 H9 N3 O2 S
SMILES:S=C1NN=C(N1)C2Oc3ccccc3OC2
InChi:InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)/t8-/m1/s1
Definition date:2013-12-23
Last modified:2024-09-27
Release date:2014-08-20
Identifier:5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
48V
48V
Name:{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
Formula:C5 H10 N2 O3 S
SMILES:O=C(N)C(N)CSCC(=O)O
InChi:InChI=1S/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1
Definition date:2015-02-13
Last modified:2024-09-27
Release date:2015-09-23
Identifier:{[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid
2P4
2P4
Name:(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
Formula:C20 H26 N2 O4
SMILES:O=C(N1C(C(O)CO)CCC1)C3C(C(=O)NCc2ccccc2)=CCC3
InChi:InChI=1S/C20H26N2O4/c23-13-18(24)17-10-5-11-22(17)20(26)16-9-4-8-15(16)19(25)21-12-14-6-2-1-3-7-14/h1-3,6-8,16-18,23-24H,4-5,9-13H2,(H,21,25)/t16-,17+,18+/m1/s1
Definition date:2012-03-15
Last modified:2024-09-27
Identifier:(5R)-N-benzyl-5-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)cyclopent-1-ene-1-carboxamide
48Z
48Z
Name:2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose
Formula:C5 H10 F O6 P S
SMILES:FC1C(O)C(OC1O)COP(=O)(O)S
InChi:InChI=1S/C5H10FO6PS/c6-3-4(7)2(12-5(3)8)1-11-13(9,10)14/h2-5,7-8H,1H2,(H2,9,10,14)/t2-,3+,4-,5+/m1/s1
Definition date:2011-05-11
Last modified:2024-09-27
Identifier:2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose
2P8
2P8
Name:(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
Formula:C19 H27 N3 O4
SMILES:O=C(N1C(C(O)CO)CCC1)C3N(C(=O)NCc2ccccc2)CCC3
InChi:InChI=1S/C19H27N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-17,23-24H,4-5,8-13H2,(H,20,26)/t15-,16-,17-/m0/s1
Definition date:2012-03-15
Last modified:2024-09-27
Identifier:(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
2PB
2PB
Name:2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE
Formula:C7 H5 O5 P
SMILES:O=P([O-])Oc1ccccc1C([O-])=O
InChi:InChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2
Definition date:2004-03-26
Last modified:2024-09-27
Identifier:2-[(dioxidophosphanyl)oxy]benzoate
2PP
2PP
Name:2-PROPYL-PENTANOIC ACID
Formula:C8 H16 O2
SMILES:O=C(O)C(CCC)CCC
InChi:InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:2-propylpentanoic acid
4AC
4AC
Name:N(4)-ACETYLCYTIDINE-5'-MONOPHOSPHATE
Formula:C11 H16 N3 O9 P
SMILES:O=C(NC1=NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O)C
InChi:InChI=1S/C11H16N3O9P/c1-5(15)12-7-2-3-14(11(18)13-7)10-9(17)8(16)6(23-10)4-22-24(19,20)21/h2-3,6,8-10,16-17H,4H2,1H3,(H2,19,20,21)(H,12,13,15,18)/t6-,8-,9-,10-/m1/s1
Definition date:2001-01-18
Last modified:2024-09-27
Identifier:N-acetylcytidine 5'-(dihydrogen phosphate)
4AF
4AF
Name:4-ACETYL-L-PHENYLALANINE
Formula:C11 H13 N O3
SMILES:O=C(O)C(N)Cc1ccc(cc1)C(=O)C
InChi:InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1
Synonyms:P-ACETYLPHENYLALANINE
Definition date:2005-05-04
Last modified:2024-09-27
Identifier:4-acetyl-L-phenylalanine
4AK
4AK
Name:N~6~-sulfo-L-lysine
Formula:C6 H14 N2 O5 S
SMILES:O=S(=O)(O)NCCCCC(C(=O)O)N
InChi:InChI=1S/C6H14N2O5S/c7-5(6(9)10)3-1-2-4-8-14(11,12)13/h5,8H,1-4,7H2,(H,9,10)(H,11,12,13)/t5-/m0/s1
Definition date:2015-02-20
Last modified:2024-09-27
Release date:2015-07-15
Identifier:N~6~-sulfo-L-lysine
4AR
4AR
Name:amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium
Formula:C16 H25 N4 O3
SMILES:O=C(OCC(=O)C(N)CCCNC(=[NH2+])N)c1c(cccc1C)C
InChi:InChI=1S/C16H24N4O3/c1-10-5-3-6-11(2)14(10)15(22)23-9-13(21)12(17)7-4-8-20-16(18)19/h3,5-6,12H,4,7-9,17H2,1-2H3,(H4,18,19,20)/p+1/t12-/m0/s1
Definition date:2013-01-09
Last modified:2024-09-27
Identifier:amino({(4S)-4-amino-6-[(2,6-dimethylbenzoyl)oxy]-5-oxohexyl}amino)methaniminium
7HS
7HS
Name:(S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide
Formula:C14 H28 N6 O3
SMILES:CC(=O)N[CH](CCCCN)C(=O)N[CH](CCCNC(N)=N)C=O
InChi:InChI=1S/C14H28N6O3/c1-10(22)19-12(6-2-3-7-15)13(23)20-11(9-21)5-4-8-18-14(16)17/h9,11-12H,2-8,15H2,1H3,(H,19,22)(H,20,23)(H4,16,17,18)/t11-,12-/m0/s1
Definition date:2016-12-05
Last modified:2024-09-27
Release date:2017-06-14
Identifier:(2~{S})-2-acetamido-6-azanyl-~{N}-[(2~{S})-5-carbamimidamido-1-oxidanylidene-pentan-2-yl]hexanamide
7IB
7IB
Name:8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid
Formula:C14 H14 N2 O4
SMILES:Nc1ccc(CCCC(O)=O)c2ccc(nc12)C(O)=O
InChi:InChI=1S/C14H14N2O4/c15-10-6-4-8(2-1-3-12(17)18)9-5-7-11(14(19)20)16-13(9)10/h4-7H,1-3,15H2,(H,17,18)(H,19,20)
Definition date:2021-08-05
Last modified:2024-09-27
Release date:2022-07-13
Identifier:8-azanyl-5-(4-oxidanyl-4-oxidanylidene-butyl)quinoline-2-carboxylic acid
7ID
7ID
Name:(2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid
Formula:C10 H19 N5 O5
SMILES:O=C(NC(CCCNC(=N)N)C(=O)O)CC(N)C(=O)O
InChi:InChI=1S/C10H19N5O5/c11-5(8(17)18)4-7(16)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
Definition date:2021-08-11
Last modified:2024-09-27
Release date:2021-08-18
Identifier:L-beta-aspartyl-L-arginine

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數據於2025-10-15公開中

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