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682
682
表記:N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE
組成式:C15 H27 N7 O3 S
SMILES:O=C(N)NC(C(=O)NC(C(O)c1nccs1)CCCNC(=[N@H])N)C(C)C
InChi:InChI=1S/C15H27N7O3S/c1-8(2)10(22-15(18)25)12(24)21-9(4-3-5-20-14(16)17)11(23)13-19-6-7-26-13/h6-11,23H,3-5H2,1-2H3,(H,21,24)(H4,16,17,20)(H3,18,22,25)/t9-,10-,11-/m0/s1
定義日:2006-01-10
最終更新日:2024-09-27
識別子（ID）:N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-N~2~-carbamoyl-L-valinamide
687
687
表記:N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE
組成式:C31 H34 N3 O8 P
SMILES:O=Cc1cc(ccc1OP(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:InChI=1S/C31H34N3O8P/c1-21(36)32-28(18-23-12-15-29(26(17-23)20-35)42-43(39,40)41)30(37)33-27-9-5-6-16-34(31(27)38)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,27-28H,5-6,9,16,18-19H2,1H3,(H,32,36)(H,33,37)(H2,39,40,41)/t27-,28-/m0/s1
別名:RU84687
定義日:2003-06-20
最終更新日:2024-09-27
識別子（ID）:Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3-formyl-O-phosphono-L-tyrosinamide
69P
69P
表記:6-piperazin-1-yl-9H-purine
組成式:C9 H12 N6
SMILES:n2cnc1c(ncn1)c2N3CCNCC3
InChi:InChI=1S/C9H12N6/c1-3-15(4-2-10-1)9-7-8(12-5-11-7)13-6-14-9/h5-6,10H,1-4H2,(H,11,12,13,14)
定義日:2010-05-26
最終更新日:2024-09-27
識別子（ID）:6-(piperazin-1-yl)-9H-purine
6A0
6A0
表記:(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid
組成式:C8 H16 N2 O4
SMILES:NC(C(O)=O)CCCCCC(NO)=O
InChi:InChI=1S/C8H16N2O4/c9-6(8(12)13)4-2-1-3-5-7(11)10-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
定義日:2016-02-24
最終更新日:2024-09-27
公開日:2016-05-11
識別子（ID）:(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid
6A8
6A8
表記:((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol
組成式:C25 H35 B N6 O5
SMILES:O=C(NC(Cc1ccc(cc1)CN)C(NC(B2OC(CO)CO2)CCCN/C(N)=N)=O)c3ccccc3
InChi:InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-16-20(15-33)37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t20-,21-,22-/m0/s1
定義日:2016-02-25
最終更新日:2024-09-27
公開日:2016-12-14
識別子（ID）:4-(aminomethyl)-Nalpha-(benzenecarbonyl)-N-{(1R)-4-carbamimidamido-1-[(4S)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]butyl}-L-phenylalaninamide
6AO
6AO
表記:(2S)-2-azanyl-N-[(2S)-1-azanylidene-3-(4-phenylphenyl)propan-2-yl]butanamide
組成式:C19 H23 N3 O
SMILES:O=C(NC(C=[N@H])Cc1ccc(cc1)c2ccccc2)C(N)CC
InChi:InChI=1S/C19H23N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17-18,20H,2,12,21H2,1H3,(H,22,23)/b20-13+/t17-,18-/m0/s1
定義日:2013-10-31
最終更新日:2024-09-27
公開日:2014-03-19
識別子（ID）:(2S)-2-amino-N-[(2S,3E)-1-(biphenyl-4-yl)-3-iminopropan-2-yl]butanamide
6AZ
6AZ
表記:6-azidouridine 5'-(dihydrogen phosphate)
組成式:C9 H12 N5 O9 P
SMILES:[N-]=[N+]=NC=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1
別名:6-AZIDO-UMP
定義日:2009-02-16
最終更新日:2024-09-27
識別子（ID）:6-azidouridine 5'-(dihydrogen phosphate)
6B7
6B7
表記:(2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid
組成式:C15 H23 N O6 S
SMILES:CCCOC(=O)CS[CH]1[CH](C)C(=N[CH]1C(O)=O)[CH](C=O)[CH](C)O
InChi:InChI=1S/C15H23NO6S/c1-4-5-22-11(19)7-23-14-8(2)12(10(6-17)9(3)18)16-13(14)15(20)21/h6,8-10,13-14,18H,4-5,7H2,1-3H3,(H,20,21)/t8-,9-,10-,13+,14-/m1/s1
定義日:2016-03-01
最終更新日:2024-09-27
公開日:2016-10-05
識別子（ID）:(2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid
6B8
6B8
表記:(2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid
組成式:C11 H17 N O4 S
SMILES:OC(C=1C(C(C(C(C(O)C)C=O)N=1)C)SC)=O
InChi:InChI=1S/C11H17NO4S/c1-5-8(7(4-13)6(2)14)12-9(11(15)16)10(5)17-3/h4-8,10,14H,1-3H3,(H,15,16)/t5-,6-,7-,8-,10-/m1/s1
定義日:2016-03-01
最終更新日:2024-09-27
公開日:2016-10-12
識別子（ID）:(2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid
6B9
6B9
表記:2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid
組成式:C21 H13 N O5 S
SMILES:O=C(O)c1cc(N=[C@H]S)ccc1C2=C4C(Oc3c2ccc(c3)O)=CC(=O)C=C4
InChi:InChI=1S/C21H13NO5S/c23-12-2-5-15-18(8-12)27-19-9-13(24)3-6-16(19)20(15)14-4-1-11(22-10-28)7-17(14)21(25)26/h1-10,23H,(H,22,28)(H,25,26)
定義日:2016-03-01
最終更新日:2024-09-27
公開日:2017-03-08
識別子（ID）:2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid
6BH
6BH
表記:N-[3-(benzyloxy)phenyl]-3-nitrobenzamide
組成式:C20 H16 N2 O4
SMILES:O=[N+]([O-])c1cccc(c1)C(=O)Nc2cccc(c2)OCc3ccccc3
InChi:InChI=1S/C20H16N2O4/c23-20(16-8-4-10-18(12-16)22(24)25)21-17-9-5-11-19(13-17)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,21,23)
定義日:2015-09-24
最終更新日:2024-09-27
公開日:2016-09-21
識別子（ID）:N-[3-(benzyloxy)phenyl]-3-nitrobenzamide
6BI
6BI
表記:[(2~{R},3~{S},4~{R},5~{R})-5-[6-(ethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
組成式:C18 H28 Cl N6 O8 P
SMILES:O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(NCCCCCCNC(=O)CCl)ncnc23
InChi:InChI=1S/C18H28ClN6O8P/c19-7-12(26)20-5-3-1-2-4-6-21-16-13-17(23-9-22-16)25(10-24-13)18-15(28)14(27)11(33-18)8-32-34(29,30)31/h9-11,14-15,18,27-28H,1-8H2,(H,20,26)(H,21,22,23)(H2,29,30,31)/t11-,14-,15-,18-/m1/s1
定義日:2021-07-26
最終更新日:2024-09-27
公開日:2022-06-01
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-[6-[6-(2-chloranylethanoylamino)hexylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
6C1
6C1
表記:{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid
組成式:C13 H12 B Cl O3
SMILES:c1(c(cccc1)OCc2cccc(Cl)c2)B(O)O
InChi:InChI=1S/C13H12BClO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8,16-17H,9H2
定義日:2016-03-08
最終更新日:2024-09-27
公開日:2017-03-15
識別子（ID）:{2-[(3-chlorophenyl)methoxy]phenyl}boronic acid
6CG
6CG
表記:5'-S-phosphono-5'-thioguanosine
組成式:C10 H14 N5 O7 P S
SMILES:C=2(Nc1n(cnc1C(N=2)=O)C3C(C(C(CSP(O)(O)=O)O3)O)O)N
InChi:InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-24-23(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
別名:TrpGMPS hydrolysis product
定義日:2016-03-10
最終更新日:2024-09-27
公開日:2017-03-15
識別子（ID）:5'-S-phosphono-5'-thioguanosine
6CL
6CL
表記:6-CARBOXYLYSINE
組成式:C7 H15 N2 O4
SMILES:O=C(O)C(CCCC(N)C(=O)O)[NH3+]
InChi:InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/p+1/t4-,5+
定義日:2005-08-08
最終更新日:2024-09-27
識別子（ID）:(1R,5S)-5-amino-1,5-dicarboxypentan-1-aminium
6CN
6CN
表記:6-cyanouridine 5'-phosphate
組成式:C10 H12 N3 O9 P
SMILES:N#CC=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C10H12N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1,5,7-9,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1
定義日:2008-10-23
最終更新日:2024-09-27
識別子（ID）:6-cyanouridine 5'-(dihydrogen phosphate)
6CV
6CV
表記:3-bromo-L-phenylalanine
組成式:C9 H10 Br N O2
SMILES:Brc1cccc(CC(N)C(O)=O)c1
InChi:InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2016-03-15
最終更新日:2024-09-27
公開日:2016-10-26
識別子（ID）:3-bromo-L-phenylalanine
6CW
6CW
表記:6-CHLORO-L-TRYPTOPHAN
組成式:C11 H11 Cl N2 O2
SMILES:O=C(O)C(N)Cc2c1ccc(Cl)cc1nc2
InChi:InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
定義日:2005-09-22
最終更新日:2024-09-27
識別子（ID）:6-chloro-L-tryptophan
6D6
6D6
表記:5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
組成式:C17 H28 N8 O5
SMILES:C(CCN(CCC(C(O)=O)N)CC1C(O)C(C(O1)n2cnc3c2ncnc3N)O)N
InChi:InChI=1S/C17H28N8O5/c18-3-1-4-24(5-2-9(19)17(28)29)6-10-12(26)13(27)16(30-10)25-8-23-11-14(20)21-7-22-15(11)25/h7-10,12-13,16,26-27H,1-6,18-19H2,(H,28,29)(H2,20,21,22)/t9-,10+,12+,13+,16+/m0/s1
定義日:2016-03-16
最終更新日:2024-09-27
公開日:2017-03-15
識別子（ID）:5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine
6DN
6DN
表記:(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
組成式:C8 H16 N2 O4
SMILES:N[CH](CCCCNCC(O)=O)C(O)=O
InChi:InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1
定義日:2016-03-30
最終更新日:2024-09-27
公開日:2017-10-11
識別子（ID）:(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
6DU
6DU
表記:2-bromo-L-phenylalanine
組成式:C9 H10 Br N O2
SMILES:O=C(C(N)Cc1c(Br)cccc1)O
InChi:InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2016-03-17
最終更新日:2024-09-27
公開日:2016-10-26
識別子（ID）:2-bromo-L-phenylalanine
6E3
6E3
表記:2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
組成式:C10 H12 N2 O2
SMILES:O=C1C(=C(C)N2N1C(C(C)=C2C)=O)C
InChi:InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3
定義日:2016-03-19
最終更新日:2024-09-27
公開日:2017-03-29
識別子（ID）:2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
6E4
6E4
表記:L-glutamamide
組成式:C5 H11 N3 O2
SMILES:NC(CCC(N)C(N)=O)=O
InChi:InChI=1S/C5H11N3O2/c6-3(5(8)10)1-2-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)/t3-/m0/s1
定義日:2016-03-21
最終更新日:2024-09-27
公開日:2016-04-06
識別子（ID）:L-glutamamide
6EM
6EM
表記:(2S)-1-amino-N,N,N-trimethyl-1-oxobutan-2-aminium
組成式:C7 H17 N2 O
SMILES:CCC(C(=O)N)[N+](C)(C)C
InChi:InChI=1S/C7H16N2O/c1-5-6(7(8)10)9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1/t6-/m0/s1
定義日:2016-03-23
最終更新日:2024-09-27
公開日:2016-05-18
識別子（ID）:(2S)-1-amino-N,N,N-trimethyl-1-oxobutan-2-aminium
6F5
6F5
表記:6-methylheptanoic acid
組成式:C8 H16 O2
SMILES:CC(C)CCCCC(O)=O
InChi:InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
定義日:2016-04-13
最終更新日:2024-09-27
公開日:2016-09-21
識別子（ID）:6-methylheptanoic acid

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