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40O
40O
表記:(1R,2R)-cyclohexane-1,2-diol
組成式:C6 H12 O2
SMILES:OC1CCCCC1O
InChi:InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
定義日:2015-01-06
最終更新日:2024-09-27
公開日:2015-07-15
識別子（ID）:(1R,2R)-cyclohexane-1,2-diol
40T
40T
表記:N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
組成式:C12 H18 N4 O5
SMILES:O=C(N(CC(=O)O)CC(N)C)CN1C=C(C(=O)NC1=O)C
InChi:InChI=1S/C12H18N4O5/c1-7-3-16(12(21)14-11(7)20)5-9(17)15(4-8(2)13)6-10(18)19/h3,8H,4-6,13H2,1-2H3,(H,18,19)(H,14,20,21)/t8-/m0/s1
定義日:2010-04-26
最終更新日:2024-09-27
識別子（ID）:N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
IYR
IYR
表記:3-IODO-TYROSINE
組成式:C9 H10 I N O3
SMILES:Ic1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:3-iodo-L-tyrosine
412
412
表記:(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
組成式:C12 H18 B N3 O3
SMILES:OCC1OB(OC1)c2ccc(cc2)CCNC(=[N@H])N
InChi:InChI=1S/C12H18BN3O3/c14-12(15)16-6-5-9-1-3-10(4-2-9)13-18-8-11(7-17)19-13/h1-4,11,17H,5-8H2,(H4,14,15,16)/t11-/m1/s1
定義日:2005-06-02
最終更新日:2024-09-27
識別子（ID）:1-(2-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl)guanidine
41H
41H
表記:(betaS)-beta-methyl-L-phenylalanine
組成式:C10 H13 N O2
SMILES:O=C(O)C(N)C(c1ccccc1)C
InChi:InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1
定義日:2015-01-09
最終更新日:2024-09-27
公開日:2016-02-03
識別子（ID）:(betaS)-beta-methyl-L-phenylalanine
41Q
41Q
表記:4-imino-L-homoserine
組成式:C4 H8 N2 O3
SMILES:O=C(O)C(N)CC(=[N@H])O
InChi:InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
定義日:2015-01-15
最終更新日:2024-09-27
公開日:2015-10-07
識別子（ID）:4-imino-L-homoserine
IZO
IZO
表記:(2S)-2-AMINOHEX-5-YNOIC ACID
組成式:C6 H9 N O2
SMILES:O=C(O)C(N)CCC#C
InChi:InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m0/s1
定義日:2010-08-09
最終更新日:2024-09-27
識別子（ID）:(2S)-2-aminohex-5-ynoic acid
IZS
IZS
表記:ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate
組成式:C13 H21 N3 O2
SMILES:CCOC(=O)CN(C)c1nc(CC)cc(CC)n1
InChi:InChI=1S/C13H21N3O2/c1-5-10-8-11(6-2)15-13(14-10)16(4)9-12(17)18-7-3/h8H,5-7,9H2,1-4H3
定義日:2023-08-04
最終更新日:2024-09-27
公開日:2023-10-25
識別子（ID）:ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate
420
420
表記:N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE
組成式:C16 H20 I N3 O3 S
SMILES:ICC(=O)NCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
InChi:InChI=1S/C16H20IN3O3S/c1-20(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)19-10-9-18-16(21)11-17/h3-8,19H,9-11H2,1-2H3,(H,18,21)
定義日:2009-10-19
最終更新日:2024-09-27
識別子（ID）:N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]-2-iodoacetamide
424
424
表記:(2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
組成式:C25 H25 Cl2 N3 O4 S
SMILES:O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Cl)cc3)CC4)C5
InChi:InChI=1S/C25H25Cl2N3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
定義日:2010-10-15
最終更新日:2024-09-27
識別子（ID）:(4R)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide
427
427
表記:(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE
組成式:C10 H14 B N3 O3
SMILES:OCC1OB(OC1)c2ccc(NC(=[N@H])N)cc2
InChi:InChI=1S/C10H14BN3O3/c12-10(13)14-8-3-1-7(2-4-8)11-16-6-9(5-15)17-11/h1-4,9,15H,5-6H2,(H4,12,13,14)/t9-/m1/s1
定義日:2005-06-02
最終更新日:2024-09-27
識別子（ID）:1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}guanidine
42X
42X
表記:N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
組成式:C14 H28 N3 O8 P
SMILES:O=P(OCC(C(O)C(=O)NCCC(=O)NCCNC(=O)CC)(C)C)(O)O
InChi:InChI=1S/C14H28N3O8P/c1-4-10(18)15-7-8-16-11(19)5-6-17-13(21)12(20)14(2,3)9-25-26(22,23)24/h12,20H,4-9H2,1-3H3,(H,15,18)(H,16,19)(H,17,21)(H2,22,23,24)/t12-/m0/s1
定義日:2015-01-23
最終更新日:2024-09-27
公開日:2016-01-27
識別子（ID）:N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
42Y
42Y
表記:O-propanoyl-L-serine
組成式:C6 H11 N O4
SMILES:O=C(OCC(C(=O)O)N)CC
InChi:InChI=1S/C6H11NO4/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
定義日:2015-01-23
最終更新日:2024-09-27
公開日:2016-01-27
識別子（ID）:O-propanoyl-L-serine
432
432
表記:O-butanoyl-L-serine
組成式:C7 H13 N O4
SMILES:O=C(OCC(C(=O)O)N)CCC
InChi:InChI=1S/C7H13NO4/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
定義日:2015-01-23
最終更新日:2024-09-27
公開日:2016-01-27
識別子（ID）:O-butanoyl-L-serine
44S
44S
表記:2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
組成式:C6 H13 O8 P
SMILES:O=P(O)(O)OCC(O)C1OC(O)CC1O
InChi:InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
別名:tagatose-6-phosphate, bound form
定義日:2015-02-11
最終更新日:2024-09-27
公開日:2016-01-20
識別子（ID）:2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
451
451
表記:N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
組成式:C22 H27 N O7
SMILES:O=C(Nc2ccc1OCCOCCOc3ccccc3OCCOCCOc1c2)C
InChi:InChI=1S/C22H27NO7/c1-17(24)23-18-6-7-21-22(16-18)30-15-11-26-9-13-28-20-5-3-2-4-19(20)27-12-8-25-10-14-29-21/h2-7,16H,8-15H2,1H3,(H,23,24)
別名:N-(Dibenzo-18-crown-6-ether)-acetamide
定義日:2009-01-28
最終更新日:2024-09-27
識別子（ID）:N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide
45F
45F
表記:(4S)-4-(prop-2-yn-1-yloxy)-L-proline
組成式:C8 H11 N O3
SMILES:O=C(O)C1NCC(OCC#C)C1
InChi:InChI=1S/C8H11NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6-,7-/m0/s1
定義日:2015-02-09
最終更新日:2024-09-27
公開日:2015-02-25
識別子（ID）:(4S)-4-(prop-2-yn-1-yloxy)-L-proline
3DR
3DR
表記:1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
組成式:C5 H11 O6 P
SMILES:O=P(OCC1OCCC1O)(O)O
InChi:InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1
別名:ABASIC DIDEOXYRIBOSE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
3DS
3DS
表記:(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
組成式:C7 H8 O5
SMILES:O=C1C=C(C(=O)O)CC(O)C1O
InChi:InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1
別名:3-dehydroshikimate
定義日:2010-05-27
最終更新日:2024-09-27
識別子（ID）:(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
3E5
3E5
表記:N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide
組成式:C35 H52 N4 O6
SMILES:O=C(Nc1ccc(cc1C)C)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C
InChi:InChI=1S/C35H52N4O6/c1-21(2)16-28(31(40)34(43)36-27-15-14-24(7)19-25(27)8)37-32(41)29(17-22(3)4)38-33(42)30(18-23(5)6)39-35(44)45-20-26-12-10-9-11-13-26/h9-15,19,21-23,28-31,40H,16-18,20H2,1-8H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t28-,29-,30-,31-/m0/s1
定義日:2014-08-05
最終更新日:2024-09-27
公開日:2014-08-13
識別子（ID）:N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide
3EG
3EG
表記:(2S)-2-amino-4,4,4-trifluorobutanoic acid
組成式:C4 H6 F3 N O2
SMILES:FC(F)(F)CC(N)C(=O)O
InChi:InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1
定義日:2011-10-13
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-4,4,4-trifluorobutanoic acid
3F7
3F7
表記:1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
組成式:C14 H8 N2 O4
SMILES:O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O
InChi:InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
定義日:2014-08-06
最終更新日:2024-09-27
公開日:2014-12-10
識別子（ID）:1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
3F8
3F8
表記:1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)
組成式:C14 H16 N2 O6
SMILES:O=C1C=CC(=O)N1CCOCCOCCN2C(=O)C=CC2=O
InChi:InChI=1S/C14H16N2O6/c17-11-1-2-12(18)15(11)5-7-21-9-10-22-8-6-16-13(19)3-4-14(16)20/h1-4H,5-10H2
定義日:2014-08-07
最終更新日:2024-09-27
公開日:2014-12-10
識別子（ID）:1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(1H-pyrrole-2,5-dione)
3FB
3FB
表記:(3S)-3-AMINO-4-PHENYLBUTANOIC ACID
組成式:C10 H13 N O2
SMILES:O=C(O)CC(N)Cc1ccccc1
InChi:InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
定義日:2002-08-05
最終更新日:2024-09-27
識別子（ID）:(3S)-3-amino-4-phenylbutanoic acid
3FC
3FC
表記:(1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE
組成式:C26 H32 F3 N5 O7
SMILES:O=C3OCCN3NC(=O)C(=O)C(NC(=O)OC(Cc1nnc(o1)c2ccc(cc2)C(F)(F)F)C(C)(C)C)CCCC
InChi:InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1
定義日:2005-03-14
最終更新日:2024-09-27
識別子（ID）:(1R)-2,2-dimethyl-1-({5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}methyl)propyl [(1S)-1-{oxo[(2-oxo-1,3-oxazolidin-3-yl)amino]acetyl}pentyl]carbamate

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件を2024-10-16に公開中

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