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9F8
9F8
表記:3-(3-methylindol-1-yl)propanoic acid
組成式:C12 H13 N O2
SMILES:Cc1cn(CCC(O)=O)c2ccccc12
InChi:InChI=1S/C12H13NO2/c1-9-8-13(7-6-12(14)15)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,14,15)
定義日:2017-05-16
最終更新日:2017-06-23
公開日:2017-06-28
識別子（ID）:3-(3-methylindol-1-yl)propanoic acid
M2D
M2D
表記:Madumycin II
組成式:C26 H37 N3 O7
SMILES:CC(C)[CH]1OC(=O)[CH](C)NC(=O)c2coc(C[CH](O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n2
InChi:InChI=1S/C26H37N3O7/c1-15(2)24-17(4)8-9-22(32)27-10-6-7-16(3)11-19(30)12-20(31)13-23-29-21(14-35-23)25(33)28-18(5)26(34)36-24/h6-9,11,14-15,17-20,24,30-31H,10,12-13H2,1-5H3,(H,27,32)(H,28,33)/b7-6-,9-8+,16-11+/t17-,18-,19-,20+,24-/m1/s1
定義日:2017-06-20
最終更新日:2017-06-23
公開日:2017-06-28
識別子（ID）:(4~{R},7~{R},8~{R},9~{E},14~{Z},16~{E},18~{S},20~{S})-4,8,16-trimethyl-18,20-bis(oxidanyl)-7-propan-2-yl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione
6OU
6OU
表記:[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
組成式:C39 H76 N O8 P
SMILES:CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
InChi:InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
定義日:2016-05-24
最終更新日:2017-06-23
公開日:2017-06-28
識別子（ID）:[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
7DC
7DC
表記:4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide
組成式:C34 H49 N11 O7
SMILES:CC(C)[CH](NC(=O)c1ccc(cc1)N=Nc2ccc(CNC(=O)[CH](C)NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](C)NC(=O)[CH](N)CO)cc2)C=O
InChi:InChI=1S/C34H49N11O7/c1-19(2)28(18-47)43-31(50)23-9-13-25(14-10-23)45-44-24-11-7-22(8-12-24)16-39-29(48)20(3)41-33(52)27(6-5-15-38-34(36)37)42-30(49)21(4)40-32(51)26(35)17-46/h7-14,18-21,26-28,46H,5-6,15-17,35H2,1-4H3,(H,39,48)(H,40,51)(H,41,52)(H,42,49)(H,43,50)(H4,36,37,38)/b45-44+/t20-,21-,26-,27-,28+/m0/s1
定義日:2016-10-12
最終更新日:2017-06-23
公開日:2017-06-28
識別子（ID）:4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide
7DU
7DU
表記:(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide
組成式:C29 H42 N10 O6
SMILES:C[CH](NC(=O)[CH](CCCNC(N)=N)NC(=O)[CH](C)NC(=O)[CH](N)CO)C(=O)NCc1ccc(cc1)N=Nc2ccc(CO)cc2
InChi:InChI=1S/C29H42N10O6/c1-17(25(42)34-14-19-5-9-21(10-6-19)38-39-22-11-7-20(15-40)8-12-22)36-28(45)24(4-3-13-33-29(31)32)37-26(43)18(2)35-27(44)23(30)16-41/h5-12,17-18,23-24,40-41H,3-4,13-16,30H2,1-2H3,(H,34,42)(H,35,44)(H,36,45)(H,37,43)(H4,31,32,33)/b39-38+/t17-,18-,23-,24-/m0/s1
定義日:2016-10-12
最終更新日:2017-06-23
公開日:2017-06-28
識別子（ID）:(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide
7TA
7TA
表記:N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
組成式:C23 H26 N4 O2
SMILES:N(C(n2cc1c(ccnc1)c2)=O)c4ccc(C3CCN(CC3)C(=O)C(C)C)cc4
InChi:InChI=1S/C23H26N4O2/c1-16(2)22(28)26-11-8-18(9-12-26)17-3-5-21(6-4-17)25-23(29)27-14-19-7-10-24-13-20(19)15-27/h3-7,10,13-16,18H,8-9,11-12H2,1-2H3,(H,25,29)
定義日:2016-12-05
最終更新日:2017-06-23
公開日:2017-06-28
識別子（ID）:N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
8HV
8HV
表記:5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide
組成式:C24 H26 F N3 O3
SMILES:N(C(n2cc1c(ccc(F)c1)c2)=O)c4ccc(C3CCN(CC3)C(=O)C(C)(O)C)cc4
InChi:InChI=1S/C24H26FN3O3/c1-24(2,31)22(29)27-11-9-17(10-12-27)16-4-7-21(8-5-16)26-23(30)28-14-18-3-6-20(25)13-19(18)15-28/h3-8,13-15,17,31H,9-12H2,1-2H3,(H,26,30)
定義日:2017-02-09
最終更新日:2017-06-23
公開日:2017-06-28
識別子（ID）:5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide
98N
98N
表記:(S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide
組成式:C27 H35 F3 N4 O3 S
SMILES:CC[S](=O)(=O)c1ccc(CNC(=O)c2cnc3[CH](C(C)C)N(C[CH]4CC[CH](CC4)C(F)(F)F)Cc3c2)nc1
InChi:InChI=1S/C27H35F3N4O3S/c1-4-38(36,37)23-10-9-22(31-14-23)13-33-26(35)19-11-20-16-34(25(17(2)3)24(20)32-12-19)15-18-5-7-21(8-6-18)27(28,29)30/h9-12,14,17-18,21,25H,4-8,13,15-16H2,1-3H3,(H,33,35)/t18-,21-,25-/m0/s1
定義日:2017-04-28
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:(7~{S})-~{N}-[(5-ethylsulfonylpyridin-2-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
7YA
7YA
表記:(2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
組成式:C20 H19 N5 O3
SMILES:C[CH](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3
InChi:InChI=1S/C20H19N5O3/c1-12(26)19(27)22-9-13-3-2-4-15(7-13)25-20(28)16(11-23-25)18-8-14-10-21-6-5-17(14)24-18/h2-8,10-12,24,26,28H,9H2,1H3,(H,22,27)/t12-/m0/s1
定義日:2016-12-13
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:(2~{S})-2-oxidanyl-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
7Z4
7Z4
表記:5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide
組成式:C26 H20 N6 O4
SMILES:n3(c(c(C(=O)Nc2cc1C(=O)N=Cc1cc2)cn3)O)c5cc(CNC(Nc4ccccc4)=O)ccc5
InChi:InChI=1S/C26H20N6O4/c33-23-21-12-19(10-9-17(21)14-27-23)30-24(34)22-15-29-32(25(22)35)20-8-4-5-16(11-20)13-28-26(36)31-18-6-2-1-3-7-18/h1-12,14-15,35H,13H2,(H,30,34)(H2,28,31,36)
定義日:2016-12-13
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide
7Z7
7Z7
表記:(2S)-2,3-dihydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
組成式:C20 H19 N5 O4
SMILES:OC[CH](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3
InChi:InChI=1S/C20H19N5O4/c26-11-18(27)19(28)22-8-12-2-1-3-14(6-12)25-20(29)15(10-23-25)17-7-13-9-21-5-4-16(13)24-17/h1-7,9-10,18,24,26-27,29H,8,11H2,(H,22,28)/t18-/m0/s1
定義日:2016-12-13
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:(2~{S})-2,3-bis(oxidanyl)-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide
7ZA
7ZA
表記:2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
組成式:C32 H36 N4 O3
SMILES:CCOc1cc(ccc1OC(C)C)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5
InChi:InChI=1S/C32H36N4O3/c1-4-38-29-20-24(12-15-28(29)39-21(2)3)30(35-25-13-14-26-23(19-25)16-17-34-31(26)33)32(37)36-18-8-11-27(36)22-9-6-5-7-10-22/h5-7,9-10,12-17,19-21,27,30,35H,4,8,11,18H2,1-3H3,(H2,33,34)/t27-,30-/m1/s1
定義日:2016-12-13
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:(2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone
7ZD
7ZD
表記:(2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide
組成式:C26 H23 N5 O3
SMILES:O[CH](Cc1ccccc1)C(=O)NCc2cccc(c2)n3ncc(c3O)c4[nH]c5ccncc5c4
InChi:InChI=1S/C26H23N5O3/c32-24(12-17-5-2-1-3-6-17)25(33)28-14-18-7-4-8-20(11-18)31-26(34)21(16-29-31)23-13-19-15-27-10-9-22(19)30-23/h1-11,13,15-16,24,30,32,34H,12,14H2,(H,28,33)/t24-/m0/s1
定義日:2016-12-13
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:(2~{S})-2-oxidanyl-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenyl-propanamide
8L2
8L2
表記:(2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
組成式:C18 H29 N4 O7 P
SMILES:CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CN)C(O)=O
InChi:InChI=1S/C18H29N4O7P/c1-12(2)8-14(16(23)21-15(9-19)17(24)25)22-30(27,28)11-20-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t14-,15-/m0/s1
定義日:2017-02-09
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:(2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
8NV
8NV
表記:7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one
組成式:C22 H25 N3 O3 S
SMILES:c5c3c4c(C(N(C)C=C4c1c(ccc(c1)S(C(C)C)(=O)=O)N(CC2CC2)C3)=O)n5
InChi:InChI=1S/C22H25N3O3S/c1-13(2)29(27,28)16-6-7-19-17(8-16)18-12-24(3)22(26)21-20(18)15(9-23-21)11-25(19)10-14-4-5-14/h6-9,12-14,23H,4-5,10-11H2,1-3H3
定義日:2017-02-22
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one
8R5
8R5
表記:3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid
組成式:C17 H15 Cl N2 O4
SMILES:C[CH](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c3ccccn3
InChi:InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1
定義日:2017-02-27
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid
8R8
8R8
表記:3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid
組成式:C17 H15 Cl N2 O5
SMILES:C[CH](Oc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl)c3ccccn3
InChi:InChI=1S/C17H15ClN2O5/c1-10(12-4-2-3-6-19-12)24-14-9-15-13(8-11(14)18)20(17(23)25-15)7-5-16(21)22/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)/t10-/m1/s1
定義日:2017-02-27
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid
8RB
8RB
表記:3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
組成式:C17 H16 Cl N3 O4
SMILES:C[CH](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c3ccc(C)nn3
InChi:InChI=1S/C17H16ClN3O4/c1-9-3-4-13(20-19-9)10(2)24-16-8-15-11(7-12(16)18)14(21-25-15)5-6-17(22)23/h3-4,7-8,10H,5-6H2,1-2H3,(H,22,23)/t10-/m1/s1
定義日:2017-02-27
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
8RK
8RK
表記:3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
組成式:C11 H10 Cl N O4
SMILES:Cc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl
InChi:InChI=1S/C11H10ClNO4/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
定義日:2017-02-28
最終更新日:2017-06-16
公開日:2017-06-21
識別子（ID）:3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid
7BC
7BC
表記:3-(acryloyloxy)propanoic acid
組成式:C6 H8 O4
SMILES:O=C(OCCC(=O)O)[C@H]=C
InChi:InChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)
定義日:2016-09-28
最終更新日:2017-06-09
公開日:2017-06-14
識別子（ID）:3-(acryloyloxy)propanoic acid
8T5
8T5
表記:(1~{S},4~{S},7~{R},10~{R})-14-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid
組成式:C36 H42 Cl N5 O7
SMILES:CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CCC[CH]6C=C[CH]7CC[CH](N7C(=O)[CH]56)C(O)=O
InChi:InChI=1S/C36H42ClN5O7/c1-21(43)38-27(20-23-6-2-3-8-26(23)37)31(44)40-19-5-16-36(40)17-15-25-11-13-28(42(25)35(36)49)32(45)39-18-4-7-22-9-10-24-12-14-29(34(47)48)41(24)33(46)30(22)39/h2-3,6,8-10,15,17,22,24-25,27-30H,4-5,7,11-14,16,18-20H2,1H3,(H,38,43)(H,47,48)/t22-,24+,25+,27+,28+,29+,30+,36-/m1/s1
定義日:2017-03-06
最終更新日:2017-06-09
公開日:2017-06-14
識別子（ID）:(1~{S},4~{S},7~{R},10~{R})-14-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-3,14-diazatricyclo[8.4.0.0^{3,7}]tetradec-8-ene-4-carboxylic acid
92A
92A
表記:N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide
組成式:C30 H40 Cl N3 O3
SMILES:C(CC(=O)NC(C(=O)N1CCC(CC1)C)Cc3ccc(NC(CCc2ccc(Cl)cc2)=O)cc3)C(C)C
InChi:InChI=1S/C30H40ClN3O3/c1-21(2)4-14-29(36)33-27(30(37)34-18-16-22(3)17-19-34)20-24-7-12-26(13-8-24)32-28(35)15-9-23-5-10-25(31)11-6-23/h5-8,10-13,21-22,27H,4,9,14-20H2,1-3H3,(H,32,35)(H,33,36)/t27-/m1/s1
定義日:2017-03-29
最終更新日:2017-06-02
公開日:2017-06-07
識別子（ID）:N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide
6OV
6OV
表記:3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide
組成式:C22 H33 N5 O2
SMILES:C3CCCC(CC(C(N1CCCC1C(NCc2ccc(cc2)C(N)=[N@H])=O)=O)N)C3
InChi:InChI=1S/C22H33N5O2/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)26-14-16-8-10-17(11-9-16)20(24)25/h8-11,15,18-19H,1-7,12-14,23H2,(H3,24,25)(H,26,28)/t18-,19+/m1/s1
定義日:2016-05-17
最終更新日:2017-06-02
公開日:2017-06-07
識別子（ID）:3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide
7OS
7OS
表記:(2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid
組成式:C30 H35 F4 N O4
SMILES:O(c5c(C(C)N4CCC(C3Oc2cc(C(C(C)C(O)=O)C1CC1)ccc2CC3)CC4)cc(cc5)F)C(F)(F)F
InChi:InChI=1S/C30H35F4NO4/c1-17(29(36)37)28(21-4-5-21)22-6-3-19-7-9-25(38-27(19)15-22)20-11-13-35(14-12-20)18(2)24-16-23(31)8-10-26(24)39-30(32,33)34/h3,6,8,10,15-18,20-21,25,28H,4-5,7,9,11-14H2,1-2H3,(H,36,37)/t17-,18-,25+,28-/m0/s1
定義日:2016-11-28
最終更新日:2017-06-02
公開日:2017-06-07
識別子（ID）:(2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid
8GS
8GS
表記:2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
組成式:C18 H17 N5 O
SMILES:c4n(c(c3cccc(N2C(c1c(cccc1)C2)=O)n3)nn4)C(C)C
InChi:InChI=1S/C18H17N5O/c1-12(2)23-11-19-21-17(23)15-8-5-9-16(20-15)22-10-13-6-3-4-7-14(13)18(22)24/h3-9,11-12H,10H2,1-2H3
定義日:2017-02-05
最終更新日:2017-06-02
公開日:2017-06-07
識別子（ID）:2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one

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