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HZ6
HZ6
表記:1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one
組成式:C15 H22 N6 O2
SMILES:CCC(=O)N1CC(C1)Oc1nn(c2ncnc(N)c21)C(C)(C)C
InChi:InChI=1S/C15H22N6O2/c1-5-10(22)20-6-9(7-20)23-14-11-12(16)17-8-18-13(11)21(19-14)15(2,3)4/h8-9H,5-7H2,1-4H3,(H2,16,17,18)
定義日:2023-07-24
最終更新日:2024-09-27
公開日:2024-02-14
識別子（ID）:1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one
HZB
HZB
表記:(1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol
組成式:C11 H20 O9
SMILES:O[CH]1CO[CH](O[CH]2C[CH](O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
InChi:InChI=1S/C11H20O9/c12-3-1-5(8(16)9(17)6(3)14)20-11-10(18)7(15)4(13)2-19-11/h3-18H,1-2H2/t3-,4-,5-,6?,7+,8+,9+,10-,11+/m1/s1
定義日:2019-01-07
最終更新日:2024-09-27
公開日:2019-06-05
識別子（ID）:(1~{R},3~{S},4~{R},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol
HZM
HZM
表記:2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
組成式:C28 H36 N4 O4 S
SMILES:C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(CCCN(C)C)=O)OCCN4CCCCC4
InChi:InChI=1S/C28H36N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6,8-9,11-12,18-19,26H,3-5,7,10,13-17H2,1-2H3,(H,30,33)(H,34,35)/t26-/m0/s1
別名:2-{(S)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, bound form
定義日:2018-08-01
最終更新日:2024-09-27
公開日:2018-11-21
識別子（ID）:2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
HZP
HZP
表記:(4S)-4-hydroxy-L-proline
組成式:C5 H9 N O3
SMILES:O=C(O)C1NCC(O)C1
InChi:InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
定義日:2009-04-16
最終更新日:2024-09-27
識別子（ID）:(4S)-4-hydroxy-L-proline
HZV
HZV
表記:2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
組成式:C28 H36 N4 O4 S
SMILES:C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(CCCN(C)C)=O)OCCN4CCCCC4
InChi:InChI=1S/C28H36N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6,8-9,11-12,18-19,26H,3-5,7,10,13-17H2,1-2H3,(H,30,33)(H,34,35)/t26-/m1/s1
別名:2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, bound form
定義日:2018-08-01
最終更新日:2024-09-27
公開日:2018-11-21
識別子（ID）:2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
I0X
I0X
表記:Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-L-phenylalaninamide
組成式:C31 H34 N4 O5
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)C=[N+]=[N-])Cc2ccc(OC(C)(C)C)cc2)Cc3ccccc3
InChi:InChI=1S/C31H34N4O5/c1-31(2,3)40-25-16-14-23(15-17-25)18-26(28(36)20-33-32)34-29(37)27(19-22-10-6-4-7-11-22)35-30(38)39-21-24-12-8-5-9-13-24/h4-17,20,26-27H,18-19,21H2,1-3H3,(H,34,37)(H,35,38)/t26-,27-/m0/s1
別名:Z-Phe-Tyr(t-Bu)-diazomethylketone
定義日:2010-11-01
最終更新日:2024-09-27
識別子（ID）:Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-diazo-3-oxobutan-2-yl]-L-phenylalaninamide
I0Y
I0Y
表記:Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-L-phenylalaninamide
組成式:C31 H36 N2 O6
SMILES:O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)CO)Cc2ccc(OC(C)(C)C)cc2)Cc3ccccc3
InChi:InChI=1S/C31H36N2O6/c1-31(2,3)39-25-16-14-23(15-17-25)18-26(28(35)20-34)32-29(36)27(19-22-10-6-4-7-11-22)33-30(37)38-21-24-12-8-5-9-13-24/h4-17,26-27,34H,18-21H2,1-3H3,(H,32,36)(H,33,37)/t26-,27-/m0/s1
別名:Z-Phe-Tyr(OBut)-COCHO
定義日:2010-11-01
最終更新日:2024-09-27
識別子（ID）:Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-(4-tert-butoxyphenyl)-4-hydroxy-3-oxobutan-2-yl]-L-phenylalaninamide
I10
I10
表記:1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE
組成式:C26 H31 N3 O4 S
SMILES:O=S(=O)(c1ncccc1)NCC(O)CNC(=O)C(c3cccc(c2ccccc2)c3)CC(C)C
InChi:InChI=1S/C26H31N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,23-24,29-30H,15,17-18H2,1-2H3,(H,28,31)/t23-,24-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2R)-2-biphenyl-3-yl-N-{(2R)-2-hydroxy-3-[(pyridin-2-ylsulfonyl)amino]propyl}-4-methylpentanamide
I12
I12
表記:N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
組成式:C30 H46 N6 O8
SMILES:O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=CC(=O)OCC)CC1C(=O)NCC1)CC(C)C)C(C)C)C)c2noc(c2)C
InChi:InChI=1S/C30H46N6O8/c1-8-43-24(37)10-9-21(15-20-11-12-31-27(20)39)33-28(40)22(13-16(2)3)34-30(42)25(17(4)5)35-26(38)19(7)32-29(41)23-14-18(6)44-36-23/h9-10,14,16-17,19-22,25H,8,11-13,15H2,1-7H3,(H,31,39)(H,32,41)(H,33,40)(H,34,42)(H,35,38)/b10-9+/t19-,20-,21+,22-,25-/m0/s1
別名:(E)-(S)-4-[(S)-4-METHYL-2-((S)-3-METHYL-2{(S)-2-[(5-METHYL-ISOXAZOLE-3- CARBONYL)-AMINO]-PROPIONYLAMINO}-BUTYRYLAMINO)-PENTANOYLAMINO]-5-((S)-2- OXO-PYRROLIDIN-3-YL)-PENT-2-ENOIC ACID ETHYL ESTER
定義日:2004-08-30
最終更新日:2024-09-27
識別子（ID）:N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-en-1-yl]-L-leucinamide
I1C
I1C
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H16 I N3 O5
SMILES:C(O)(C)C(C2=NC(=[C@H]c1cc(I)c(cc1)O)C(N2CC(O)=O)=O)N
InChi:InChI=1S/C15H16IN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
定義日:2019-04-02
最終更新日:2024-09-27
公開日:2020-04-08
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
I1E
I1E
表記:1-phenylpropan-1-one
組成式:C9 H10 O
SMILES:O=C(c1ccccc1)CC
InChi:InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
別名:1-phenyl-2-propen-1-one, bound form
定義日:2011-07-26
最終更新日:2024-09-27
識別子（ID）:1-phenylpropan-1-one
I1J
I1J
表記:1,3-bis(sulfanyl)propan-2-one
組成式:C3 H6 O S2
SMILES:SCC(=O)CS
InChi:InChI=1S/C3H6OS2/c4-3(1-5)2-6/h5-6H,1-2H2
定義日:2022-01-06
最終更新日:2024-09-27
公開日:2022-07-27
識別子（ID）:1,3-bis(sulfanyl)propan-2-one
I1S
I1S
表記:[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
組成式:C16 H18 N O5 P
SMILES:O=P(O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C16H18NO5P/c18-16(22-12-14-9-5-2-6-10-14)17-15(23(19,20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,18)(H2,19,20,21)/t15-/m0/s1
定義日:2011-03-08
最終更新日:2024-09-27
公開日:2014-01-22
識別子（ID）:[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl]phosphonic acid
I1V
I1V
表記:(2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide
組成式:C12 H25 N5 O4
SMILES:N[CH](CCC[CH](CO)NC(=O)CC[CH](N)C(N)=O)C(N)=O
InChi:InChI=1S/C12H25N5O4/c13-8(11(15)20)3-1-2-7(6-18)17-10(19)5-4-9(14)12(16)21/h7-9,18H,1-6,13-14H2,(H2,15,20)(H2,16,21)(H,17,19)/t7-,8+,9+/m0/s1
定義日:2023-07-25
最終更新日:2024-09-27
公開日:2024-08-07
識別子（ID）:(2~{R})-2-azanyl-~{N}'-[(2~{S},6~{R})-6,7-bis(azanyl)-1-oxidanyl-7-oxidanylidene-heptan-2-yl]pentanediamide
I1W
I1W
表記:(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide
組成式:C33 H48 N6 O5 S
SMILES:CC(C)(C)N([2H])C(=O)N([2H])C(C(=O)N1CC2C(C1C(=O)N([2H])C(CC1CCN([2H])C1=O)C(O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C
InChi:InChI=1S/C33H48N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-25,40H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,24-,25+/m0/s1/i/hD4
定義日:2022-01-06
最終更新日:2024-09-27
公開日:2022-03-02
識別子（ID）:(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide
I1Z
I1Z
表記:(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C26 H44 N6 O4
SMILES:CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:InChI=1S/C26H44N6O4/c1-24(2,3)19(30-23(36)31-25(4,5)6)22(35)32-13-16-17(26(16,7)8)18(32)21(34)29-15(12-27)11-14-9-10-28-20(14)33/h12,14-19,27H,9-11,13H2,1-8H3,(H,28,33)(H,29,34)(H2,30,31,36)/b27-12-/t14-,15-,16-,17-,18-,19+/m0/s1
定義日:2022-01-06
最終更新日:2024-09-27
公開日:2022-03-02
識別子（ID）:(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
I22
I22
表記:D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE
組成式:C7 H15 O10 P
SMILES:O=P(OCC(O)C(O)C(O)C(O)C(=O)CO)(O)O
InChi:InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1
別名:7-O-PHOSPHONO-D-ALTRO-HEPT-2-ULOSE
定義日:2006-09-11
最終更新日:2024-09-27
識別子（ID）:7-O-phosphono-D-altro-hept-2-ulose
I2F
I2F
表記:(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6-oxidanyl-hexyl]iminohexane-1,2,4-triol
組成式:C12 H26 N2 O5
SMILES:CC(=NCCCC[CH](N)C(O)O)[CH](O)C[CH](O)CO
InChi:InChI=1S/C12H26N2O5/c1-8(11(17)6-9(16)7-15)14-5-3-2-4-10(13)12(18)19/h9-12,15-19H,2-7,13H2,1H3/b14-8+/t9-,10-,11+/m0/s1
定義日:2022-02-08
最終更新日:2024-09-27
公開日:2023-02-08
識別子（ID）:(2~{S},4~{R},5~{E})-5-[(5~{S})-5-azanyl-6,6-bis(oxidanyl)hexyl]iminohexane-1,2,4-triol
I2J
I2J
表記:2-(2-aminoethoxy)ethan-1-ol
組成式:C4 H11 N O2
SMILES:NCCOCCO
InChi:InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2
定義日:2022-01-07
最終更新日:2024-09-27
公開日:2022-08-03
識別子（ID）:2-(2-aminoethoxy)ethan-1-ol
I2M
I2M
表記:3-methyl-L-alloisoleucine
組成式:C7 H15 N O2
SMILES:O=C(O)C(N)C(C)(CC)C
InChi:InChI=1S/C7H15NO2/c1-4-7(2,3)5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1
別名:beta-methylisoleucine
定義日:2008-06-01
最終更新日:2024-09-27
識別子（ID）:3-methyl-L-alloisoleucine
I3B
I3B
表記:5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
組成式:C13 H21 N2 O7 P
SMILES:Oc1c(CNCCCCC(=O)O)c(cnc1C)COP(=O)(O)O
InChi:InChI=1S/C13H21N2O7P/c1-9-13(18)11(7-14-5-3-2-4-12(16)17)10(6-15-9)8-22-23(19,20)21/h6,14,18H,2-5,7-8H2,1H3,(H,16,17)(H2,19,20,21)
定義日:2022-01-07
最終更新日:2024-09-27
公開日:2022-05-04
識別子（ID）:5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]pentanoic acid
I3D
I3D
表記:5,6-difluoro-tryptophan
組成式:C11 H10 F2 N2 O2
SMILES:N[CH](Cc1c[nH]c2cc(F)c(F)cc12)C(O)=O
InChi:InChI=1S/C11H10F2N2O2/c12-7-2-6-5(1-9(14)11(16)17)4-15-10(6)3-8(7)13/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1
別名:(2S)-2-azanyl-3-[5,6-bis(fluoranyl)-1H-indol-3-yl]propanoic acid
定義日:2022-02-10
最終更新日:2024-09-27
公開日:2022-11-23
識別子（ID）:(2~{S})-2-azanyl-3-[5,6-bis(fluoranyl)-1~{H}-indol-3-yl]propanoic acid
I3E
I3E
表記:1-(4-ethylphenyl)propan-1-one
組成式:C11 H14 O
SMILES:O=C(c1ccc(cc1)CC)CC
InChi:InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3
別名:1-(4-ethylphenyl)prop-2-en-1-one, bound form
定義日:2011-07-26
最終更新日:2024-09-27
識別子（ID）:1-(4-ethylphenyl)propan-1-one
I3R
I3R
表記:2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
組成式:C19 H15 Cl N4 O
SMILES:O=C(CCl)N1N=C(CC1c1cccc2nccnc21)c1ccccc1
InChi:InChI=1S/C19H15ClN4O/c20-12-18(25)24-17(11-16(23-24)13-5-2-1-3-6-13)14-7-4-8-15-19(14)22-10-9-21-15/h1-10,17H,11-12H2/t17-/m1/s1
定義日:2023-05-03
最終更新日:2024-09-27
公開日:2023-06-07
識別子（ID）:2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
I4G
I4G
表記:N-(2-methylpropyl)glycine
組成式:C6 H13 N O2
SMILES:O=C(O)CNCC(C)C
InChi:InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
定義日:2014-04-04
最終更新日:2024-09-27
公開日:2014-07-23
識別子（ID）:N-(2-methylpropyl)glycine

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件を2024-10-16に公開中

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