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U0I
U0I
表記:5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide
組成式:C22 H20 F3 N3 O5
SMILES:OC1=C(N=C(Cc2ccccc2C(F)(F)F)NC1=O)C(=O)NCCc1ccc(O)c(OC)c1
InChi:InChI=1S/C22H20F3N3O5/c1-33-16-10-12(6-7-15(16)29)8-9-26-20(31)18-19(30)21(32)28-17(27-18)11-13-4-2-3-5-14(13)22(23,24)25/h2-7,10,29-30H,8-9,11H2,1H3,(H,26,31)(H,27,28,32)
定義日:2022-08-01
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide
U9U
U9U
表記:5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide
組成式:C20 H17 F3 N4 O3
SMILES:FC(F)(F)c1ccccc1CC1=NC(=O)C(O)=C(N1)C(=O)NCCc1ccncc1
InChi:InChI=1S/C20H17F3N4O3/c21-20(22,23)14-4-2-1-3-13(14)11-15-26-16(17(28)19(30)27-15)18(29)25-10-7-12-5-8-24-9-6-12/h1-6,8-9,28H,7,10-11H2,(H,25,29)(H,26,27,30)
定義日:2022-08-15
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide
6FI
6FI
表記:6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine
組成式:C17 H24 N4 O3 S
SMILES:CNc1cc(nc(n1)[S](C)(=O)=O)c2ccc(OCCCN(C)C)cc2
InChi:InChI=1S/C17H24N4O3S/c1-18-16-12-15(19-17(20-16)25(4,22)23)13-6-8-14(9-7-13)24-11-5-10-21(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,18,19,20)
定義日:2021-09-10
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:6-[4-[3-(dimethylamino)propoxy]phenyl]-~{N}-methyl-2-methylsulfonyl-pyrimidin-4-amine
6KI
6KI
表記:Co-octaethylporphyrin
組成式:C36 H44 Co N4
SMILES:CCC1=C(CC)C2=Cc3n4[Co]N5C(=CC1=N2)C(=C(CC)C5=CC6=NC(=Cc4c(CC)c3CC)C(=C6CC)CC)CC
InChi:InChI=1S/C36H44N4.Co/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30
定義日:2021-09-24
最終更新日:2022-09-09
公開日:2022-09-14
DIJ
DIJ
表記:3-(4-bromophenyl)propanal
組成式:C9 H9 Br O
SMILES:Brc1ccc(CCC=O)cc1
InChi:InChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H,1-2H2
定義日:2022-04-13
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:3-(4-bromophenyl)propanal
V7J
V7J
表記:2-(2,5-dioxopyrrolidin-1-yl)acetamide
組成式:C6 H8 N2 O3
SMILES:C(N)(CN1C(=O)CCC1=O)=O
InChi:InChI=1S/C6H8N2O3/c7-4(9)3-8-5(10)1-2-6(8)11/h1-3H2,(H2,7,9)
定義日:2020-07-13
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:2-(2,5-dioxopyrrolidin-1-yl)acetamide
JMF
JMF
表記:(3S)-1-(iminomethyl)-N-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide
組成式:C21 H24 N6 O2
SMILES:N=CN1CC[CH](C1)C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NCCCC#C
InChi:InChI=1S/C21H24N6O2/c1-2-3-4-10-23-20(28)16-5-7-18(8-6-16)27-13-19(24-15-27)25-21(29)17-9-11-26(12-17)14-22/h1,5-8,13-15,17,22H,3-4,9-12H2,(H,23,28)(H,25,29)/b22-14+/t17-/m0/s1
別名:(3S)-1-cyano-N-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide, reacted form of
定義日:2022-05-05
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:(3~{S})-1-(iminomethyl)-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]pyrrolidine-3-carboxamide
T8I
T8I
表記:5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[4-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide
組成式:C20 H17 F3 N4 O4
SMILES:COc1nccc(c1)CCNC(=O)C=1NC(=NC(=O)C=1O)c1ccc(cc1)C(F)(F)F
InChi:InChI=1S/C20H17F3N4O4/c1-31-14-10-11(6-8-24-14)7-9-25-18(29)15-16(28)19(30)27-17(26-15)12-2-4-13(5-3-12)20(21,22)23/h2-6,8,10,28H,7,9H2,1H3,(H,25,29)(H,26,27,30)
定義日:2022-07-20
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[4-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide
WEL
WEL
表記:(1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C25 H37 N5 O8 S2
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Sc1nc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C25H37N5O8S2/c1-14(2)11-18(21(32)27-19(22(33)40(35,36)37)12-15-9-10-26-20(15)31)30-24(34)38-13-25(3,4)39-23-28-16-7-5-6-8-17(16)29-23/h5-8,14-15,18-19,22,33H,9-13H2,1-4H3,(H,26,31)(H,27,32)(H,28,29)(H,30,34)(H,35,36,37)/t15-,18-,19-,22-/m0/s1
定義日:2022-09-05
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:(1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
WEQ
WEQ
表記:(1~{R},2~{S})-2-[[(2~{S})-2-[[2-(1~{H}-benzimidazol-2-ylsulfanyl)-2-methyl-propoxy]carbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid;molecular oxygen
組成式:C25 H37 N5 O8 S2
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Sc1nc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C25H37N5O8S2/c1-14(2)11-18(21(32)27-19(22(33)40(35,36)37)12-15-9-10-26-20(15)31)30-24(34)38-13-25(3,4)39-23-28-16-7-5-6-8-17(16)29-23/h5-8,14-15,18-19,22,33H,9-13H2,1-4H3,(H,26,31)(H,27,32)(H,28,29)(H,30,34)(H,35,36,37)/t15-,18-,19-,22+/m0/s1
定義日:2022-09-05
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:(1R,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
WF5
WF5
表記:(1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C24 H36 Cl N3 O9 S
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(Cl)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H36ClN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22-/m0/s1
定義日:2022-09-06
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:(1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
WGO
WGO
表記:N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
組成式:C24 H36 F N3 O9 S
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H36FN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22+/m0/s1
定義日:2022-09-08
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:(1R,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
WGU
WGU
表記:(1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C24 H36 F N3 O9 S
SMILES:CC(C)CC(NC(=O)OCC(C)(C)Oc1ccc(F)cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H36FN3O9S/c1-14(2)11-18(28-23(32)36-13-24(3,4)37-17-7-5-16(25)6-8-17)21(30)27-19(22(31)38(33,34)35)12-15-9-10-26-20(15)29/h5-8,14-15,18-19,22,31H,9-13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t15-,18-,19-,22-/m0/s1
定義日:2022-09-08
最終更新日:2022-09-09
公開日:2022-09-14
識別子（ID）:(1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
IWA
IWA
表記:(2R)-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3H-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid
組成式:C25 H24 N8 O5 S
SMILES:CN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Sc4[nH]c5cc(NC(=O)CC[CH](N)C(O)=O)ccc5n4)nc12
InChi:InChI=1S/C25H24N8O5S/c1-32-20-19(21(35)31-24(32)38)33(12-13-5-3-2-4-6-13)25(30-20)39-23-28-16-9-7-14(11-17(16)29-23)27-18(34)10-8-15(26)22(36)37/h2-7,9,11,15H,8,10,12,26H2,1H3,(H,27,34)(H,28,29)(H,36,37)(H,31,35,38)/t15-/m1/s1
定義日:2022-04-14
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:(2~{R})-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid
AJW
AJW
表記:7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
組成式:C23 H29 N3 O2
SMILES:O=C1CCc2ccc(OCCCCN3CCN(CC3)c4ccccc4)cc2N1
InChi:InChI=1S/C23H29N3O2/c27-23-11-9-19-8-10-21(18-22(19)24-23)28-17-5-4-12-25-13-15-26(16-14-25)20-6-2-1-3-7-20/h1-3,6-8,10,18H,4-5,9,11-17H2,(H,24,27)
定義日:2022-03-24
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1~{H}-quinolin-2-one
IEI
IEI
表記:(2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
組成式:C53 H62 Br F N8 O6 S
SMILES:Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCCN5CCC(CC5)c6ccc7N8c9cccc(Br)c9C(=O)N=C8N(C%10CCCC%10)c7c6)c2
InChi:InChI=1S/C53H62BrFN8O6S/c1-31-45(70-30-57-31)34-13-14-35(28-56-47(65)42-27-37(64)29-61(42)49(67)46(52(2,3)4)58-50(68)53(55)19-20-53)43(26-34)69-24-8-21-60-22-17-32(18-23-60)33-15-16-39-41(25-33)62(36-9-5-6-10-36)51-59-48(66)44-38(54)11-7-12-40(44)63(39)51/h7,11-16,25-26,30,32,36-37,42,46,64H,5-6,8-10,17-24,27-29H2,1-4H3,(H,56,65)(H,58,68)/t37-,42+,46-/m1/s1
別名:(2S,4R)-N-(2-(3-(4-(4-bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9- yl)piperidin-1-yl)propoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropane-1- carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
定義日:2022-03-14
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:(2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
89T
89T
表記:N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine
組成式:C17 H24 N8 O3 S
SMILES:COC[CH](C)Nc1ccc(N[S](=O)(=O)N(C)C)c(Nc2ccc3nn[nH]c3c2)n1
InChi:InChI=1S/C17H24N8O3S/c1-11(10-28-4)18-16-8-7-14(23-29(26,27)25(2)3)17(20-16)19-12-5-6-13-15(9-12)22-24-21-13/h5-9,11,23H,10H2,1-4H3,(H2,18,19,20)(H,21,22,24)/t11-/m0/s1
定義日:2021-12-01
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:6-[[3-(dimethylsulfamoylamino)-6-[[(2~{S})-1-methoxypropan-2-yl]amino]pyridin-2-yl]amino]-1~{H}-benzotriazole
1XK
1XK
表記:4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide
組成式:C26 H28 F N5 O3
SMILES:Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](CO)(C5CC5)C4=O)c2
InChi:InChI=1S/C26H28FN5O3/c1-16-7-22(32-6-5-26(15-33,25(32)35)20-3-4-20)11-23(30-16)24(34)28-12-17-8-18(10-21(27)9-17)19-13-29-31(2)14-19/h7-11,13-14,20,33H,3-6,12,15H2,1-2H3,(H,28,34)/t26-/m1/s1
定義日:2021-07-08
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:4-[(3~{S})-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide
R1Y
R1Y
表記:1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide
組成式:C8 H13 N5 O4
SMILES:N=C(N)c1ncn(n1)C1OC(CO)C(O)C1O
InChi:InChI=1S/C8H13N5O4/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8/h2-5,8,14-16H,1H2,(H3,9,10)/t3-,4-,5-,8-/m1/s1
定義日:2022-06-15
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide
R2O
R2O
表記:N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
組成式:C9 H10 F N3
SMILES:Fc1ccc(NC2=NCCN2)cc1
InChi:InChI=1S/C9H10FN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13)
定義日:2022-06-15
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
63Z
63Z
表記:[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol
組成式:C10 H7 Cl F3 N3 O
SMILES:OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F
InChi:InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2
別名:(1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol
定義日:2021-07-23
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol
M0U
M0U
表記:1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide
組成式:C28 H37 N5 O3
SMILES:CCNC(=O)c1nnn(c2cc(C(C)C)c(O)cc2O)c1c3ccc(CNCC4CCCCC4)cc3
InChi:InChI=1S/C28H37N5O3/c1-4-30-28(36)26-27(33(32-31-26)23-14-22(18(2)3)24(34)15-25(23)35)21-12-10-20(11-13-21)17-29-16-19-8-6-5-7-9-19/h10-15,18-19,29,34-35H,4-9,16-17H2,1-3H3,(H,30,36)
定義日:2022-07-20
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide
OJC
OJC
表記:(2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione
組成式:C15 H21 N5 O13 P2
SMILES:Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC2C1O)C(O)C3O
InChi:InChI=1S/C15H21N5O13P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)11-6(30-14)2-29-35(26,27)33-34(24,25)28-1-5-8(21)9(22)15(31-5)32-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
定義日:2022-05-06
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:(2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione
7S2
7S2
表記:(2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide
組成式:C28 H34 N4 O4
SMILES:CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#CC#CC3CC3)NC(=O)[CH]4C[CH](O)CN4
InChi:InChI=1S/C28H34N4O4/c1-18(2)28(36)32-17-22(31-26(34)24-14-23(33)16-29-24)13-25(32)27(35)30-15-21-11-9-20(10-12-21)6-4-3-5-19-7-8-19/h9-12,18-19,22-25,29,33H,7-8,13-17H2,1-2H3,(H,30,35)(H,31,34)/t22-,23-,24+,25-/m1/s1
定義日:2021-08-24
最終更新日:2022-09-02
公開日:2022-09-07
識別子（ID）:(2~{R},4~{R})-~{N}-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2~{S},4~{R})-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide
7S6
7S6
表記:(2R,4R)-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide
組成式:C34 H42 F N5 O4
SMILES:CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#Cc3ccc(CN4CCOCC4)cc3)NC(=O)[CH]5C[CH](F)CN5
InChi:InChI=1S/C34H42FN5O4/c1-23(2)34(43)40-22-29(38-32(41)30-17-28(35)20-36-30)18-31(40)33(42)37-19-26-9-5-24(6-10-26)3-4-25-7-11-27(12-8-25)21-39-13-15-44-16-14-39/h5-12,23,28-31,36H,13-22H2,1-2H3,(H,37,42)(H,38,41)/t28-,29+,30-,31+/m0/s1
定義日:2021-08-24
最終更新日:2022-09-02
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-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide

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件を2024-07-24に公開中

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