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ZCL
ZCL
表記:3,4-dichloro-L-phenylalanine
組成式:C9 H9 Cl2 N O2
SMILES:Clc1ccc(cc1Cl)CC(C(=O)O)N
InChi:InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
定義日:2010-12-29
最終更新日:2024-09-27
識別子（ID）:3,4-dichloro-L-phenylalanine
NTN
NTN
表記:ISONICOTINAMIDINE
組成式:C6 H7 N3
SMILES:[N@H]=C(N)c1ccncc1
InChi:InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8)
定義日:2001-04-16
最終更新日:2024-09-27
識別子（ID）:pyridine-4-carboximidamide
V3Z
V3Z
表記:(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate
組成式:C10 H11 N O6 S
SMILES:CC(C)[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O
InChi:InChI=1S/C10H11NO6S/c1-7(2)18(15,16)17-10-5-8(6-12)3-4-9(10)11(13)14/h3-7H,1-2H3
定義日:2021-04-12
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate
RWJ
RWJ
表記:CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE
組成式:C19 H25 N5 O2 S
SMILES:O=C(NC(C(=O)c1nc2ccccc2s1)CCCNC(=[N@H])N)C3CCCC3
InChi:InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1
別名:RWJ-51084
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]cyclopentanecarboxamide
MME
MME
表記:N-METHYL METHIONINE
組成式:C6 H13 N O2 S
SMILES:O=C(O)C(NC)CCSC
InChi:InChI=1S/C6H13NO2S/c1-7-5(6(8)9)3-4-10-2/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
定義日:1999-10-14
最終更新日:2024-09-27
識別子（ID）:N-methyl-L-methionine
XM2
XM2
表記:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
組成式:C32 H44 N4 O7
SMILES:c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)OC(C)(C)C)=O
InChi:InChI=1S/C32H44N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,21,24-27,37H,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1
定義日:2020-08-13
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
ZCQ
ZCQ
表記:3-nitrophenol
組成式:C6 H5 N O3
SMILES:O=[N+]([O-])c1cccc(O)c1
InChi:InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
定義日:2012-12-17
最終更新日:2024-09-27
公開日:2019-08-28
識別子（ID）:3-nitrophenol
LTE
LTE
表記:1-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]guanidine
組成式:C18 H29 N9 O5
SMILES:N[CH](CCCNC(=N)NCCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:InChI=1S/C18H29N9O5/c19-9(17(30)31)3-1-5-22-18(21)23-6-2-4-10-12(28)13(29)16(32-10)27-8-26-11-14(20)24-7-25-15(11)27/h7-10,12-13,16,28-29H,1-6,19H2,(H,30,31)(H2,20,24,25)(H3,21,22,23)/t9-,10+,12+,13+,16+/m0/s1
定義日:2019-09-04
最終更新日:2024-09-27
公開日:2020-09-30
識別子（ID）:(2~{S})-5-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]-2-azanyl-pentanoic acid
V42
V42
表記:(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate
組成式:C11 H9 N3 O6 S
SMILES:Cn1cc(cn1)[S](=O)(=O)Oc2cc(C=O)ccc2[N+]([O-])=O
InChi:InChI=1S/C11H9N3O6S/c1-13-6-9(5-12-13)21(18,19)20-11-4-8(7-15)2-3-10(11)14(16)17/h2-7H,1H3
定義日:2021-04-12
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate
R4F
R4F
表記: 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form
組成式:C13 H13 N O2
SMILES:CC(C)C(=O)n1cc(C=O)c2ccccc21
InChi:InChI=1S/C13H13NO2/c1-9(2)13(16)14-7-10(8-15)11-5-3-4-6-12(11)14/h3-9H,1-2H3
定義日:2022-06-16
最終更新日:2024-09-27
公開日:2022-10-12
識別子（ID）:1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde
V44
V44
表記:S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine
組成式:C13 H19 N5 O2 S
SMILES:C(=O)(C(N)CSCC(c1nccn1C)c2n(ccn2)C)O
InChi:InChI=1S/C13H19N5O2S/c1-17-5-3-15-11(17)9(12-16-4-6-18(12)2)7-21-8-10(14)13(19)20/h3-6,9-10H,7-8,14H2,1-2H3,(H,19,20)/t10-/m0/s1
定義日:2020-06-23
最終更新日:2024-09-27
公開日:2021-06-30
識別子（ID）:S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine
T4M
T4M
表記:N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide
組成式:C14 H15 N O
SMILES:c1(cccc2c1cccc2)C(NC(=O)C)C
InChi:InChI=1S/C14H15NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1
定義日:2020-03-16
最終更新日:2024-09-27
公開日:2020-03-25
識別子（ID）:N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide
O95
O95
表記:{(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone
組成式:C17 H17 F3 N4 O3 S
SMILES:FC(F)(F)c1cc2nc(sc2c(c1C)NO)C4=NC(C(=O)N3CCCC3)CO4
InChi:InChI=1S/C17H17F3N4O3S/c1-8-9(17(18,19)20)6-10-13(12(8)23-26)28-15(22-10)14-21-11(7-27-14)16(25)24-4-2-3-5-24/h6,11,23,26H,2-5,7H2,1H3/t11-/m0/s1
定義日:2014-04-04
最終更新日:2024-09-27
公開日:2015-10-28
識別子（ID）:{(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone
V45
V45
表記:(2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide
組成式:C23 H30 Cl N3 O5
SMILES:C1(CN(C(O1)=O)C(CC(C)C)C(=O)NC(CC2CCNC2=O)C=O)Cc3cccc(c3)Cl
InChi:InChI=1S/C23H30ClN3O5/c1-14(2)8-20(22(30)26-18(13-28)11-16-6-7-25-21(16)29)27-12-19(32-23(27)31)10-15-4-3-5-17(24)9-15/h3-5,9,13-14,16,18-20H,6-8,10-12H2,1-2H3,(H,25,29)(H,26,30)/t16-,18-,19?,20-/m0/s1
定義日:2017-07-14
最終更新日:2024-09-27
公開日:2017-12-13
識別子（ID）:(2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide
V46
V46
表記:(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C21 H30 Cl N3 O8 S
SMILES:CC(C)CC(NC(=O)OCc1cccc(Cl)c1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C21H30ClN3O8S/c1-12(2)8-16(25-21(29)33-11-13-4-3-5-15(22)9-13)19(27)24-17(20(28)34(30,31)32)10-14-6-7-23-18(14)26/h3-5,9,12,14,16-17,20,28H,6-8,10-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t14-,16-,17-,20-/m0/s1
定義日:2022-01-19
最終更新日:2024-09-27
公開日:2022-05-04
識別子（ID）:(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
NFT
NFT
表記:N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE
組成式:C22 H29 F3 N4 O3 S
SMILES:O=S(=O)(N)c2ccc(c1ccc(cc1)C(NC(C(=O)NCCN)CC(C)C)C(F)(F)F)cc2
InChi:InChI=1S/C22H29F3N4O3S/c1-14(2)13-19(21(30)28-12-11-26)29-20(22(23,24)25)17-5-3-15(4-6-17)16-7-9-18(10-8-16)33(27,31)32/h3-10,14,19-20,29H,11-13,26H2,1-2H3,(H,28,30)(H2,27,31,32)/t19-,20-/m0/s1
定義日:2007-03-21
最終更新日:2024-09-27
識別子（ID）:N-(2-aminoethyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4'-sulfamoylbiphenyl-4-yl)ethyl]-L-leucinamide
LTJ
LTJ
表記:4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
組成式:C20 H25 F N4 O2
SMILES:C3(CCCN(c1c2c(c(cc1F)C(=O)N)nc(C)c2C)C3)NC(C=[C@H]C)=O
InChi:InChI=1S/C20H25FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h4,6,9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/b6-4+/t13-/m0/s1
定義日:2019-03-13
最終更新日:2024-09-27
公開日:2019-04-03
識別子（ID）:4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
ZUK
ZUK
表記:5-pyrimidin-2-yl-D-norvaline
組成式:C9 H13 N3 O2
SMILES:O=C(O)C(N)CCCc1ncccn1
InChi:InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1
定義日:2009-07-31
最終更新日:2024-09-27
識別子（ID）:5-pyrimidin-2-yl-D-norvaline
X8R
X8R
表記:1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one
組成式:C10 H16 N2 O2
SMILES:CC(=O)N1C2CC3CC1CC(C2)N3O
InChi:InChI=1S/C10H16N2O2/c1-6(13)11-7-2-9-4-8(11)5-10(3-7)12(9)14/h7-10,14H,2-5H2,1H3/t7-,8+,9-,10+
定義日:2022-11-07
最終更新日:2024-09-27
公開日:2023-02-15
識別子（ID）:1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one
T4Q
T4Q
表記:2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide
組成式:C17 H16 N2 O S2
SMILES:SCCCNC(=O)c1ccccc1Sc2ccccc2C#N
InChi:InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20)
定義日:2020-12-15
最終更新日:2024-09-27
公開日:2021-07-07
識別子（ID）:2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide
UQN
UQN
表記:1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
組成式:C16 H12 Br2 N2
SMILES:Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br
InChi:InChI=1S/C16H12Br2N2/c1-11-6-7-12(10-15(11)18)20-9-8-19-16(20)13-4-2-3-5-14(13)17/h2-10H,1H3
定義日:2021-03-09
最終更新日:2024-09-27
公開日:2021-06-16
識別子（ID）:1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
R4K
R4K
表記:(2S,3R)-2-azanyl-3-hydroxy-3-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propanoic acid
組成式:C11 H12 N2 O5
SMILES:O=C(O)C(N)C(O)C2(O)c1ccccc1NC2=O
InChi:InChI=1S/C11H12N2O5/c12-7(9(15)16)8(14)11(18)5-3-1-2-4-6(5)13-10(11)17/h1-4,7-8,14,18H,12H2,(H,13,17)(H,15,16)/t7-,8+,11-/m0/s1
定義日:2011-03-25
最終更新日:2024-09-27
識別子（ID）:(3R)-3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-serine
VYA
VYA
表記:2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
組成式:C17 H21 N3 O4
SMILES:CC(C)C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O
InChi:InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,13,21H,7,9,18H2,1-2H3,(H,22,23)/b14-8-/t13-/m0/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2017-08-09
最終更新日:2024-09-27
公開日:2017-12-06
識別子（ID）:2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
5RP
5RP
表記:RIBULOSE-5-PHOSPHATE
組成式:C5 H11 O8 P
SMILES:O=P(O)(O)OCC(O)C(O)C(=O)CO
InChi:InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1
定義日:2004-07-09
最終更新日:2024-09-27
識別子（ID）:5-O-phosphono-D-ribulose
LTN
LTN
表記:L-TRYPTOPHANAMIDE
組成式:C11 H13 N3 O
SMILES:O=C(N)C(N)Cc2c1ccccc1nc2
InChi:InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1
定義日:2002-08-08
最終更新日:2024-09-27
識別子（ID）:L-tryptophanamide

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