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06Q
06Q
表記:N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
組成式:C34 H35 F N4 O6
SMILES:O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](Cc2ccc(F)cc2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5
InChi:InChI=1S/C34H35FN4O6/c35-25-14-12-21(13-15-25)17-27(39-33(43)29-19-23-9-4-5-11-28(23)45-29)32(42)38-26(18-24-10-6-16-36-31(24)41)30(40)34(44)37-20-22-7-2-1-3-8-22/h1-5,7-9,11-15,19,24,26-27,30,40H,6,10,16-18,20H2,(H,36,41)(H,37,44)(H,38,42)(H,39,43)/t24-,26-,27-,30-/m0/s1
定義日:2022-09-29
最終更新日:2023-06-02
公開日:2023-06-07
識別子（ID）:~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
RWR
RWR
表記:(2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
組成式:C25 H30 O4
SMILES:Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3)c1[CH](OC(C)(C)C)C(O)=O
InChi:InChI=1S/C25H30O4/c1-15-7-11-19(16-8-9-16)22(21(15)23(24(26)27)29-25(2,3)4)18-10-12-20-17(14-18)6-5-13-28-20/h7,10-12,14,16,23H,5-6,8-9,13H2,1-4H3,(H,26,27)/t23-/m0/s1
定義日:2022-12-07
最終更新日:2023-06-02
公開日:2023-06-07
識別子（ID）:(2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
WRF
WRF
表記:1-methyl-4-phenylpyridin-1-ium
組成式:C12 H12 N
SMILES:C[n+]1ccc(cc1)c1ccccc1
InChi:InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
定義日:2022-10-17
最終更新日:2023-05-26
公開日:2023-05-31
識別子（ID）:1-methyl-4-phenylpyridin-1-ium
GQI
GQI
表記:(2R)-2-azanyl-3-[(E)-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid
組成式:C5 H8 N2 O5 S
SMILES:N[CH](CSON=CC(O)=O)C(O)=O
InChi:InChI=1S/C5H8N2O5S/c6-3(5(10)11)2-13-12-7-1-4(8)9/h1,3H,2,6H2,(H,8,9)(H,10,11)/b7-1+/t3-/m0/s1
定義日:2022-05-17
最終更新日:2023-05-26
公開日:2023-05-31
識別子（ID）:(2~{R})-2-azanyl-3-[(~{E})-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid
U30
U30
表記:3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile
組成式:C23 H22 N8 O
SMILES:Cc1c(cccc1c2cc(nc(N)n2)c3cn(Cc4cccc(n4)C(C)(C)O)nn3)C#N
InChi:InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)
定義日:2023-01-23
最終更新日:2023-05-26
公開日:2023-05-31
識別子（ID）:3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile
89B
89B
表記:N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
組成式:C34 H35 F N4 O6
SMILES:O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](Cc2ccc(F)cc2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5
InChi:InChI=1S/C34H35FN4O6/c35-25-14-12-21(13-15-25)17-27(39-33(43)29-19-23-9-4-5-11-28(23)45-29)32(42)38-26(18-24-10-6-16-36-31(24)41)30(40)34(44)37-20-22-7-2-1-3-8-22/h1-5,7-9,11-15,19,24,26-27,30,40H,6,10,16-18,20H2,(H,36,41)(H,37,44)(H,38,42)(H,39,43)/t24-,26+,27-,30-/m0/s1
定義日:2021-11-30
最終更新日:2023-05-26
公開日:2023-05-31
識別子（ID）:~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
89K
89K
表記:N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
組成式:C34 H42 N4 O6
SMILES:O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NCc5ccccc5
InChi:InChI=1S/C34H42N4O6/c39-30(34(43)36-21-23-12-5-2-6-13-23)26(19-25-15-9-17-35-31(25)40)37-32(41)27(18-22-10-3-1-4-11-22)38-33(42)29-20-24-14-7-8-16-28(24)44-29/h2,5-8,12-14,16,20,22,25-27,30,39H,1,3-4,9-11,15,17-19,21H2,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t25-,26-,27-,30-/m0/s1
定義日:2021-11-30
最終更新日:2023-05-26
公開日:2023-05-31
識別子（ID）:~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
QT9
QT9
表記:2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one
組成式:C31 H34 N8 O3
SMILES:COc1ccccc1N2N(c3cccc(n3)C(C)(C)O)c4nc(Nc5ccc(cc5)N6CCN(C)CC6)ncc4C2=O
InChi:InChI=1S/C31H34N8O3/c1-31(2,41)26-10-7-11-27(34-26)39-28-23(29(40)38(39)24-8-5-6-9-25(24)42-4)20-32-30(35-28)33-21-12-14-22(15-13-21)37-18-16-36(3)17-19-37/h5-15,20,41H,16-19H2,1-4H3,(H,32,33,35)
定義日:2022-11-14
最終更新日:2023-05-26
公開日:2023-05-31
識別子（ID）:2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one
YUX
YUX
表記:3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
組成式:C21 H33 N3 O
SMILES:CCCCCCCCCCc1ccc(cc1)c1nc(CCCN)on1
InChi:InChI=1S/C21H33N3O/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)21-23-20(25-24-21)12-10-17-22/h13-16H,2-12,17,22H2,1H3
定義日:2023-02-22
最終更新日:2023-05-19
公開日:2023-05-24
識別子（ID）:3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
ZI5
ZI5
表記:(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide
組成式:C24 H41 N O2
SMILES:CC(NC(=O)CCC/C=CC/C=CCC=C/C(C)/C=CCCCCC)CO
InChi:InChI=1S/C24H41NO2/c1-4-5-6-12-15-18-22(2)19-16-13-10-8-7-9-11-14-17-20-24(27)25-23(3)21-26/h8-11,15-16,18-19,22-23,26H,4-7,12-14,17,20-21H2,1-3H3,(H,25,27)/b10-8-,11-9-,18-15-,19-16-/t22-,23+/m0/s1
定義日:2023-03-13
最終更新日:2023-05-19
公開日:2023-05-24
識別子（ID）:(5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide
ZMB
ZMB
表記:methyl (2S)-3-[(2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-2-methylpropanoate
組成式:C13 H23 N O8
SMILES:O=C(OC)C(C)COC1OC(CO)C(O)C(O)C1NC(C)=O
InChi:InChI=1S/C13H23NO8/c1-6(12(19)20-3)5-21-13-9(14-7(2)16)11(18)10(17)8(4-15)22-13/h6,8-11,13,15,17-18H,4-5H2,1-3H3,(H,14,16)/t6-,8+,9+,10+,11+,13+/m0/s1
定義日:2023-03-14
最終更新日:2023-05-19
公開日:2023-05-24
識別子（ID）:methyl (2S)-3-[(2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-2-methylpropanoate
SYL
SYL
表記:(1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol
組成式:C17 H27 N O2
SMILES:CNCCC(O)c1cc(OCC2CCCCC2)ccc1
InChi:InChI=1S/C17H27NO2/c1-18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h5,8-9,12,14,17-19H,2-4,6-7,10-11,13H2,1H3/t17-/m1/s1
定義日:2022-07-13
最終更新日:2023-05-19
公開日:2023-05-24
識別子（ID）:(1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol
TUU
TUU
表記:4-(1,4-diazepan-1-ylsulfonyl)isoquinoline
組成式:C14 H17 N3 O2 S
SMILES:O=[S](=O)(N1CCCNCC1)c2cncc3ccccc23
InChi:InChI=1S/C14H17N3O2S/c18-20(19,17-8-3-6-15-7-9-17)14-11-16-10-12-4-1-2-5-13(12)14/h1-2,4-5,10-11,15H,3,6-9H2
定義日:2023-01-12
最終更新日:2023-05-19
公開日:2023-05-24
識別子（ID）:4-(1,4-diazepan-1-ylsulfonyl)isoquinoline
TV6
TV6
表記:1-[3,5-bis(chloranyl)phenoxy]propan-2-amine
組成式:C9 H11 Cl2 N O
SMILES:C[CH](N)COc1cc(Cl)cc(Cl)c1
InChi:InChI=1S/C9H11Cl2NO/c1-6(12)5-13-9-3-7(10)2-8(11)4-9/h2-4,6H,5,12H2,1H3/t6-/m0/s1
定義日:2023-01-12
最終更新日:2023-05-19
公開日:2023-05-24
識別子（ID）:1-[3,5-bis(chloranyl)phenoxy]propan-2-amine
FD0
FD0
表記:2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid
組成式:C29 H43 N7 O8
SMILES:CCC(=O)N(C1CCN(CCNC(=O)CCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(O)=O)CC1)c2ccccc2
InChi:InChI=1S/C29H43N7O8/c1-2-28(42)36(21-7-4-3-5-8-21)22-11-14-35(15-12-22)16-13-30-23(37)9-6-10-24(38)31-17-25(39)32-18-26(40)33-19-27(41)34-20-29(43)44/h3-5,7-8,22H,2,6,9-20H2,1H3,(H,30,37)(H,31,38)(H,32,39)(H,33,40)(H,34,41)(H,43,44)
定義日:2022-01-20
最終更新日:2023-05-19
公開日:2023-05-24
識別子（ID）:2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid
R1R
R1R
表記:[2-[2-[[1-[4-[(1S)-1-[[5-fluoranyl-4-[(4S)-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]piperidin-4-yl]sulfamoyl]ethylsulfanylmethyl]-3-oxidanylidene-propyl]-trimethyl-azanium
組成式:C32 H49 F N7 O5 S2
SMILES:CC(C)[CH]1COC(=O)N1c2nc(N[CH](C)c3ccc(cc3)N4CCC(CC4)N[S](=O)(=O)CCSCC(C[N+](C)(C)C)C=O)ncc2F
InChi:InChI=1S/C32H49FN7O5S2/c1-22(2)29-20-45-32(42)39(29)30-28(33)17-34-31(36-30)35-23(3)25-7-9-27(10-8-25)38-13-11-26(12-14-38)37-47(43,44)16-15-46-21-24(19-41)18-40(4,5)6/h7-10,17,19,22-24,26,29,37H,11-16,18,20-21H2,1-6H3,(H,34,35,36)/q+1/t23-,24?,29+/m0/s1
定義日:2022-11-22
最終更新日:2023-05-19
公開日:2023-05-24
識別子（ID）:[2-[2-[[1-[4-[(1~{S})-1-[[5-fluoranyl-4-[(4~{S})-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]piperidin-4-yl]sulfamoyl]ethylsulfanylmethyl]-3-oxidanylidene-propyl]-trimethyl-azanium
IRV
IRV
表記:(2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid
組成式:C17 H21 N3 O3
SMILES:OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCn2ccnc2
InChi:InChI=1S/C17H21N3O3/c21-16(8-4-5-10-20-11-9-18-13-20)19-15(17(22)23)12-14-6-2-1-3-7-14/h1-3,6-7,9,11,13,15H,4-5,8,10,12H2,(H,19,21)(H,22,23)/t15-/m0/s1
定義日:2022-07-12
最終更新日:2023-05-19
公開日:2023-05-24
識別子（ID）:(2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid
S6F
S6F
表記:~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide
組成式:C11 H12 Cl N O2
SMILES:CC(=O)N[CH](Cc1ccccc1Cl)C=O
InChi:InChI=1S/C11H12ClNO2/c1-8(15)13-10(7-14)6-9-4-2-3-5-11(9)12/h2-5,7,10H,6H2,1H3,(H,13,15)/t10-/m0/s1
定義日:2022-12-13
最終更新日:2023-05-15
公開日:2022-12-21
識別子（ID）:~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide
T6O
T6O
表記:aztreonam
組成式:C13 H17 N5 O8 S2
SMILES:C[CH]1[CH](NC(=O)C(=NOC(C)(C)C(O)=O)c2csc(N)n2)C(=O)N1[S](O)(=O)=O
InChi:InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/t5-,7-/m1/s1
別名:2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid
定義日:2022-12-21
最終更新日:2023-05-15
公開日:2023-03-08
識別子（ID）:2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid
N5U
N5U
表記:1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
組成式:C12 H19 N3 O
SMILES:CCC(=O)N1CCCC[CH]1c2cncn2C
InChi:InChI=1S/C12H19N3O/c1-3-12(16)15-7-5-4-6-10(15)11-8-13-9-14(11)2/h8-10H,3-7H2,1-2H3/t10-/m1/s1
定義日:2022-08-12
最終更新日:2023-05-15
公開日:2022-09-28
識別子（ID）:1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
2I5
2I5
表記:1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
組成式:C21 H22 Br N9 O2
SMILES:CCC(=O)N1CCC[CH](C1)n2nc(c3cn(nn3)c4cc(Br)ccc4O)c5c(N)ncnc25
InChi:InChI=1S/C21H22BrN9O2/c1-2-17(33)29-7-3-4-13(9-29)31-21-18(20(23)24-11-25-21)19(27-31)14-10-30(28-26-14)15-8-12(22)5-6-16(15)32/h5-6,8,10-11,13,32H,2-4,7,9H2,1H3,(H2,23,24,25)/t13-/m1/s1
定義日:2021-06-15
最終更新日:2023-05-15
公開日:2022-07-20
識別子（ID）:1-[(3~{R})-3-[4-azanyl-3-[1-(5-bromanyl-2-oxidanyl-phenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
7PX
7PX
表記:(2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide
組成式:C29 H33 F N4 O3
SMILES:CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#Cc3ccccc3)NC(=O)[CH]4C[CH](F)CN4
InChi:InChI=1S/C29H33FN4O3/c1-19(2)29(37)34-18-24(33-27(35)25-14-23(30)17-31-25)15-26(34)28(36)32-16-22-12-10-21(11-13-22)9-8-20-6-4-3-5-7-20/h3-7,10-13,19,23-26,31H,14-18H2,1-2H3,(H,32,36)(H,33,35)/t23-,24+,25-,26+/m0/s1
定義日:2021-08-17
最終更新日:2023-05-15
公開日:2022-09-07
識別子（ID）:(2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide
IS4
IS4
表記:(7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
組成式:C23 H30 Br N5 O4
SMILES:CCC(=O)N1CCC(CC1)[CH]2CCNc3n2nc(c4cc(OC)c(Br)c(OC)c4)c3C(N)=O
InChi:InChI=1S/C23H30BrN5O4/c1-4-18(30)28-9-6-13(7-10-28)15-5-8-26-23-19(22(25)31)21(27-29(15)23)14-11-16(32-2)20(24)17(12-14)33-3/h11-13,15,26H,4-10H2,1-3H3,(H2,25,31)/t15-/m0/s1
定義日:2022-07-14
最終更新日:2023-05-12
公開日:2023-05-17
識別子（ID）:(7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SF0
SF0
表記:[5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5(23),6,10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]rhodium (non-preferred name)
組成式:C62 H89 N13 O14 P Rh
SMILES:Cc1cc2ncn(c2cc1C)C1OC(CO)C(OP(=O)(O)OC(C)CNC(=O)CCC2(C)C(CC(N)=O)C3N4=C2C(C)=C2C(CCC(N)=O)C(C)(C)C5=CC6=N7C(=C(C)C=8C(CCC(N)=O)C(C)(CC(N)=O)C3(C)N=8[Rh]74N52)C(C)(CC(N)=O)C6CCC(N)=O)C1O
InChi:InChI=1S/C62H90N13O14P.Rh/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56
定義日:2022-07-01
最終更新日:2023-05-05
公開日:2023-05-10
識別子（ID）:[5-(5,6-dimethyl-1H-benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl 1-{3-[3,14,19-tris(2-amino-2-oxoethyl)-8,13,18-tris(3-amino-3-oxopropyl)-1,4,6,9,9,14,16,19-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1~2,5~.1~7,10~.1~12,15~]tricosa-5(23),6,10,12(21),15,17(20)-hexaen-4-yl-kappa~4~N~20~,N~21~,N~22~,N~23~]propanamido}propan-2-yl hydrogenato phosphate]rhodium (non-preferred name)
T8E
T8E
表記:~{N}-(4-ethanoylphenyl)-2-sulfanyl-propanamide
組成式:C11 H13 N O2 S
SMILES:C[CH](S)C(=O)Nc1ccc(cc1)C(C)=O
InChi:InChI=1S/C11H13NO2S/c1-7(13)9-3-5-10(6-4-9)12-11(14)8(2)15/h3-6,8,15H,1-2H3,(H,12,14)/t8-/m0/s1
定義日:2020-12-17
最終更新日:2023-05-05
公開日:2023-05-10
識別子（ID）:~{N}-(4-ethanoylphenyl)-2-sulfanyl-propanamide

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件を2024-07-10に公開中

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