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YIL
YIL
表記:N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide
組成式:C30 H41 N7 O5 S
SMILES:CC(=O)NCc1cccc(c1)CC(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(O)(O)c1nc2ccccc2s1
InChi:InChI=1S/C30H41N7O5S/c1-18(2)14-23(35-26(39)16-20-8-6-9-21(15-20)17-34-19(3)38)27(40)37-25(12-7-13-33-29(31)32)30(41,42)28-36-22-10-4-5-11-24(22)43-28/h4-6,8-11,15,18,23,25,41-42H,7,12-14,16-17H2,1-3H3,(H,34,38)(H,35,39)(H,37,40)(H4,31,32,33)/t23-,25-/m0/s1
定義日:2023-02-06
最終更新日:2024-09-27
公開日:2024-07-10
識別子（ID）:N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide
NL7
NL7
表記:4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
組成式:C12 H12 N2 O6 S2
SMILES:c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O
InChi:InChI=1S/C12H12N2O6S2/c1-20-10-6-9(7-13-8-10)14-21(15,16)11-2-4-12(5-3-11)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
定義日:2019-05-20
最終更新日:2024-09-27
公開日:2020-03-04
識別子（ID）:4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
XDD
XDD
表記:N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
組成式:C14 H19 N7 O3
SMILES:C(n1cnc2c1ncnc2N)C(=O)N(CC(O)=O)C3CCCC3N
InChi:InChI=1S/C14H19N7O3/c15-8-2-1-3-9(8)21(5-11(23)24)10(22)4-20-7-19-12-13(16)17-6-18-14(12)20/h6-9H,1-5,15H2,(H,23,24)(H2,16,17,18)/t8-,9-/m0/s1
定義日:2020-12-11
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:N-[(1S,2S)-2-aminocyclopentyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
VAH
VAH
表記:(3R)-3-hydroxy-L-norvaline
組成式:C5 H11 N O3
SMILES:O=C(O)C(N)C(O)CC
InChi:InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m1/s1
別名:L-3-Hydroxynorvaline
定義日:2010-06-16
最終更新日:2024-09-27
識別子（ID）:(3R)-3-hydroxy-L-norvaline
UHQ
UHQ
表記:4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
組成式:C14 H20 N2 O3 S
SMILES:CN(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:InChI=1S/C14H20N2O3S/c1-15(2)13-7-9-16(10-8-13)20(18,19)14-5-3-12(11-17)4-6-14/h3-6,11,13H,7-10H2,1-2H3
定義日:2021-02-23
最終更新日:2024-09-27
公開日:2021-06-09
識別子（ID）:4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
VAI
VAI
表記:(2S)-2-amino-3-methylbutane-1,1-diol
組成式:C5 H13 N O2
SMILES:OC(O)C(N)C(C)C
InChi:InChI=1S/C5H13NO2/c1-3(2)4(6)5(7)8/h3-5,7-8H,6H2,1-2H3/t4-/m0/s1
定義日:2011-02-01
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-3-methylbutane-1,1-diol
PNS
PNS
表記:4'-PHOSPHOPANTETHEINE
組成式:C11 H23 N2 O7 P S
SMILES:O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
InChi:InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
MDO
MDO
表記:{2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C8 H11 N3 O3
SMILES:O=C1C(N=C(N1CC(=O)O)C(N)C)=C
InChi:InChI=1S/C8H11N3O3/c1-4(9)7-10-5(2)8(14)11(7)3-6(12)13/h4H,2-3,9H2,1H3,(H,12,13)/t4-/m0/s1
別名:4-METHYLIDENE-5-ONE
定義日:2001-08-15
最終更新日:2024-09-27
識別子（ID）:{2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
5IU
5IU
表記:5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
組成式:C9 H12 I N2 O8 P
SMILES:IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate)
NL9
NL9
表記:[1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
組成式:C9 H8 B Cl N2 O2
SMILES:Clc1cccc(c1)n2ncc(c2)B(O)O
InChi:InChI=1S/C9H8BClN2O2/c11-8-2-1-3-9(4-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H
定義日:2013-08-06
最終更新日:2024-09-27
公開日:2014-07-30
識別子（ID）:[1-(3-chlorophenyl)-1H-pyrazol-4-yl]boronic acid
UHS
UHS
表記:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
組成式:C21 H30 N4 O3
SMILES:N(C(C)(C)C)C(=O)C(N(c1noc(C(C)(C)C)c1)C(=O)CC)c2cnccc2
InChi:InChI=1S/C21H30N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h9-13,18H,8H2,1-7H3,(H,23,27)/t18-/m1/s1
定義日:2020-05-18
最終更新日:2024-09-27
公開日:2020-05-27
識別子（ID）:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
SVV
SVV
表記:O-[(S)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE
組成式:C3 H9 N2 O5 P
SMILES:O=P(O)(OCC(C(=O)O)N)N
InChi:InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1
定義日:2007-02-13
最終更新日:2024-09-27
識別子（ID）:O-[(S)-amino(hydroxy)phosphoryl]-L-serine
MDP
MDP
表記:N-carboxyl-N-methyl-beta-muramic acid
組成式:C11 H19 N O9
SMILES:O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C
InChi:InChI=1S/C11H19NO9/c1-4(9(15)16)20-8-6(12(2)11(18)19)10(17)21-5(3-13)7(8)14/h4-8,10,13-14,17H,3H2,1-2H3,(H,15,16)(H,18,19)/t4-,5-,6-,7-,8-,10-/m1/s1
別名:N-CARBOXY-N-METHYL-MURAMIC ACID
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-O-[(1R)-1-carboxyethyl]-2-[carboxy(methyl)amino]-2-deoxy-alpha-D-glucopyranose
N77
N77
表記:7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide
組成式:C15 H11 F3 N4 O3 S
SMILES:FC(F)(F)c3cc1c(sc([n+]1[O-])C(=O)NCc2cccnc2)c(c3)NO
InChi:InChI=1S/C15H11F3N4O3S/c16-15(17,18)9-4-10(21-24)12-11(5-9)22(25)14(26-12)13(23)20-7-8-2-1-3-19-6-8/h1-6,21,24H,7H2,(H,20,23)
定義日:2014-06-03
最終更新日:2024-09-27
公開日:2015-10-21
識別子（ID）:7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide
RNX
RNX
表記:1-(4-{[2-(4-{(4P)-4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethoxy]methyl}piperidin-1-yl)prop-2-en-1-one
組成式:C28 H38 F2 N10 O4
SMILES:C=CC(=O)N1CCC(CC1)COCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1C
InChi:InChI=1S/C28H38F2N10O4/c1-3-21(41)37-6-4-19(5-7-37)16-44-17-22(42)38-8-10-39(11-9-38)27-34-25(20-14-32-26(31)33-23(20)24(29)30)35-28(36-27)40-12-13-43-15-18(40)2/h3,14,18-19,24H,1,4-13,15-17H2,2H3,(H2,31,32,33)/t18-/m0/s1
定義日:2023-08-22
最終更新日:2024-09-27
公開日:2024-08-28
識別子（ID）:1-(4-{[2-(4-{(4P)-4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethoxy]methyl}piperidin-1-yl)prop-2-en-1-one
5IW
5IW
表記:(2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide
組成式:C32 H40 N4 O5
SMILES:CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)C=Cc2ccccc2)C(=O)N[CH](C[CH]3CCCNC3=O)C=O
InChi:InChI=1S/C32H40N4O5/c1-22(2)18-27(31(40)34-26(21-37)20-25-14-9-17-33-30(25)39)36-32(41)28(19-24-12-7-4-8-13-24)35-29(38)16-15-23-10-5-3-6-11-23/h3-8,10-13,15-16,21-22,25-28H,9,14,17-20H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)(H,36,41)/t25-,26-,27-,28-/m0/s1
定義日:2022-02-02
最終更新日:2024-09-27
公開日:2022-04-13
識別子（ID）:(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2~{S})-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide
SVW
SVW
表記:O-[(R)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE
組成式:C3 H9 N2 O5 P
SMILES:O=P(O)(OCC(C(=O)O)N)N
InChi:InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1
定義日:2007-02-13
最終更新日:2024-09-27
識別子（ID）:O-[(R)-amino(hydroxy)phosphoryl]-L-serine
NLB
NLB
表記:6-(benzyloxy)-L-norleucine
組成式:C13 H19 N O3
SMILES:O=C(O)C(N)CCCCOCc1ccccc1
InChi:InChI=1S/C13H19NO3/c14-12(13(15)16)8-4-5-9-17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,14H2,(H,15,16)/t12-/m0/s1
定義日:2014-11-09
最終更新日:2024-09-27
公開日:2015-02-11
識別子（ID）:6-(benzyloxy)-L-norleucine
A1H9Q
A1H9Q
表記:~{N}-[(4-methoxyphenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline
組成式:C20 H27 N3 O
SMILES:COc1ccc(CNc2ccc(CN3CCN(C)CC3)cc2)cc1
InChi:InChI=1S/C20H27N3O/c1-22-11-13-23(14-12-22)16-18-3-7-19(8-4-18)21-15-17-5-9-20(24-2)10-6-17/h3-10,21H,11-16H2,1-2H3
定義日:2024-04-29
最終更新日:2024-09-27
公開日:2024-10-02
識別子（ID）:~{N}-[(4-methoxyphenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]aniline
SVX
SVX
表記:O-[(R)-ETHOXY(METHYL)PHOSPHORYL]-L-SERINE
組成式:C6 H14 N O5 P
SMILES:O=P(OCC)(OCC(N)C(=O)O)C
InChi:InChI=1S/C6H14NO5P/c1-3-11-13(2,10)12-4-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)/t5-,13+/m0/s1
定義日:2007-02-13
最終更新日:2024-09-27
識別子（ID）:O-[(R)-ethoxy(methyl)phosphoryl]-L-serine
N78
N78
表記:~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
組成式:C32 H28 N6 O5
SMILES:CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23
InChi:InChI=1S/C32H28N6O5/c1-2-27(40)37-25-15-20(9-12-26(25)43-14-13-39)24-16-33-29-28(24)30(35-18-34-29)36-21-10-7-19(8-11-21)17-38-31(41)22-5-3-4-6-23(22)32(38)42/h3-12,15-16,18,39H,2,13-14,17H2,1H3,(H,37,40)(H2,33,34,35,36)
定義日:2019-11-14
最終更新日:2024-09-27
公開日:2020-09-30
識別子（ID）:~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
W4T
W4T
表記:3-bromo-S-beta-phenylalanine
組成式:C9 H10 Br N O2
SMILES:N[CH](CC(O)=O)c1cccc(Br)c1
InChi:InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
別名:(3S)-3-azanyl-3-(3-bromophenyl)propanoic acid
定義日:2023-04-28
最終更新日:2024-09-27
公開日:2024-01-10
識別子（ID）:(3~{S})-3-azanyl-3-(3-bromophenyl)propanoic acid
Y5F
Y5F
表記:2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide
組成式:C13 H7 Cl N4 O3
SMILES:O=C(Nc1cc(cnc1)C#N)c1cc(ccc1Cl)[N+]([O-])=O
InChi:InChI=1S/C13H7ClN4O3/c14-12-2-1-10(18(20)21)4-11(12)13(19)17-9-3-8(5-15)6-16-7-9/h1-4,6-7H,(H,17,19)
定義日:2023-01-05
最終更新日:2024-09-27
公開日:2024-04-17
識別子（ID）:2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide
S2B
S2B
表記:3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
組成式:C16 H12 B2 O8
SMILES:O[B-]1(O)OC(=O)c2cc(C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)ccc12
InChi:InChI=1S/C16H12B2O8/c19-15-11-7-9(3-5-13(11)17(21,22)25-15)1-2-10-4-6-14-12(8-10)16(20)26-18(14,23)24/h1-8,21-24H/q-2/b2-1+
定義日:2019-08-20
最終更新日:2024-09-27
公開日:2021-01-27
識別子（ID）:3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
XDJ
XDJ
表記:N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine
組成式:C14 H19 N7 O4
SMILES:C(O)(CN(C1C(N)CCC1)C(Cn2cnc3c2N=C(N)NC3=O)=O)=O
InChi:InChI=1S/C14H19N7O4/c15-7-2-1-3-8(7)21(5-10(23)24)9(22)4-20-6-17-11-12(20)18-14(16)19-13(11)25/h6-8H,1-5,15H2,(H,23,24)(H3,16,18,19,25)/t7-,8-/m0/s1
定義日:2020-12-11
最終更新日:2024-09-27
公開日:2020-12-23
識別子（ID）:N-[(1S,2S)-2-aminocyclopentyl]-N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]glycine

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