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I1W
I1W
表記:(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide
組成式:C33 H48 N6 O5 S
SMILES:CC(C)(C)N([2H])C(=O)N([2H])C(C(=O)N1CC2C(C1C(=O)N([2H])C(CC1CCN([2H])C1=O)C(O)c1nc3ccccc3s1)C2(C)C)C(C)(C)C
InChi:InChI=1S/C33H48N6O5S/c1-31(2,3)25(37-30(44)38-32(4,5)6)29(43)39-16-18-22(33(18,7)8)23(39)27(42)35-20(15-17-13-14-34-26(17)41)24(40)28-36-19-11-9-10-12-21(19)45-28/h9-12,17-18,20,22-25,40H,13-16H2,1-8H3,(H,34,41)(H,35,42)(H2,37,38,44)/t17-,18-,20-,22-,23-,24-,25+/m0/s1/i/hD4
定義日:2022-01-06
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide
I1Z
I1Z
表記:(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C26 H44 N6 O4
SMILES:CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C
InChi:InChI=1S/C26H44N6O4/c1-24(2,3)19(30-23(36)31-25(4,5)6)22(35)32-13-16-17(26(16,7)8)18(32)21(34)29-15(12-27)11-14-9-10-28-20(14)33/h12,14-19,27H,9-11,13H2,1-8H3,(H,28,33)(H,29,34)(H2,30,31,36)/b27-12-/t14-,15-,16-,17-,18-,19+/m0/s1
定義日:2022-01-06
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
NB2
NB2
表記:(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C33 H56 N6 O6 S
SMILES:CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C
InChi:InChI=1S/C33H56N6O6S/c1-30(2,3)25(37-29(43)38-33(13-10-9-11-14-33)19-46(44,45)31(4,5)6)28(42)39-18-22-23(32(22,7)8)24(39)27(41)36-21(17-34)16-20-12-15-35-26(20)40/h17,20-25,34H,9-16,18-19H2,1-8H3,(H,35,40)(H,36,41)(H2,37,38,43)/b34-17-/t20-,21-,22-,23-,24-,25+/m0/s1
定義日:2022-01-10
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
IRK
IRK
表記:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
組成式:C21 H37 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20+/m0/s1
定義日:2022-01-27
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
IUB
IUB
表記:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
組成式:C21 H37 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20-/m0/s1
定義日:2022-01-28
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
BKU
BKU
表記:(1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)
組成式:C38 H54 Cl N3 O10 S2
SMILES:c42cc(OC)c(Cl)c(N(C)C(=O)CC(C1(C)OC1C(C)C3OC(NC(C(OC)C=CC=C(C2)C)(C3)O)=O)OC(=O)C(C)N(C)C(=O)CC(C)(C)SSC)c4
InChi:InChI=1S/C38H54ClN3O10S2/c1-21-13-12-14-28(49-10)38(47)19-27(50-35(46)40-38)22(2)33-37(6,52-33)29(51-34(45)23(3)41(7)31(44)20-36(4,5)54-53-11)18-30(43)42(8)25-16-24(15-21)17-26(48-9)32(25)39/h12-14,16-17,22-23,27-29,33,47H,15,18-20H2,1-11H3,(H,40,46)/b14-12+,21-13+/t22-,23-,27-,28-,29-,33-,37+,38+/m0/s1
定義日:2019-02-20
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)
HWX
HWX
表記:2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid
組成式:C11 H20 N4 O6
SMILES:C[CH](NC(=O)[CH](CCNCC(O)=O)NC(C)=O)C(=O)NO
InChi:InChI=1S/C11H20N4O6/c1-6(10(19)15-21)13-11(20)8(14-7(2)16)3-4-12-5-9(17)18/h6,8,12,21H,3-5H2,1-2H3,(H,13,20)(H,14,16)(H,15,19)(H,17,18)/t6-,8+/m1/s1
定義日:2021-02-22
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid
HX9
HX9
表記:(2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid
組成式:C14 H24 N4 O7
SMILES:C[CH](NC(=O)[CH](CCC[CH](NC(C)=O)C(O)=O)NC(C)=O)C(=O)NO
InChi:InChI=1S/C14H24N4O7/c1-7(12(21)18-25)15-13(22)10(16-8(2)19)5-4-6-11(14(23)24)17-9(3)20/h7,10-11,25H,4-6H2,1-3H3,(H,15,22)(H,16,19)(H,17,20)(H,18,21)(H,23,24)/t7-,10+,11-/m1/s1
定義日:2021-02-22
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid
HXF
HXF
表記:2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid
組成式:C18 H26 N4 O6
SMILES:C[CH](NC(=O)[CH](CCN(CC(O)=O)Cc1ccccc1)NC(C)=O)C(=O)NO
InChi:InChI=1S/C18H26N4O6/c1-12(17(26)21-28)19-18(27)15(20-13(2)23)8-9-22(11-16(24)25)10-14-6-4-3-5-7-14/h3-7,12,15,28H,8-11H2,1-2H3,(H,19,27)(H,20,23)(H,21,26)(H,24,25)/t12-,15+/m1/s1
定義日:2021-02-22
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid
HXO
HXO
表記:(2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide
組成式:C14 H20 N4 O6 S
SMILES:C[CH](NC(=O)[CH](Cc1ccc(cc1)[S](N)(=O)=O)NC(C)=O)C(=O)NO
InChi:InChI=1S/C14H20N4O6S/c1-8(13(20)18-22)16-14(21)12(17-9(2)19)7-10-3-5-11(6-4-10)25(15,23)24/h3-6,8,12,22H,7H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)(H2,15,23,24)/t8-,12+/m1/s1
定義日:2021-02-22
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(2~{S})-2-acetamido-~{N}-[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide
HY9
HY9
表記:2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid
組成式:C17 H30 N4 O6
SMILES:C[CH](NC(=O)[CH](CCN(CC1CCCC1)CC(O)=O)NC(C)=O)C(=O)NO
InChi:InChI=1S/C17H30N4O6/c1-11(16(25)20-27)18-17(26)14(19-12(2)22)7-8-21(10-15(23)24)9-13-5-3-4-6-13/h11,13-14,27H,3-10H2,1-2H3,(H,18,26)(H,19,22)(H,20,25)(H,23,24)/t11-,14+/m1/s1
定義日:2021-02-22
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid
R1W
R1W
表記:~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
組成式:C28 H30 Cl N5 O
SMILES:CCC(=O)Nc1cc(ccc1C)c2c([nH]c3nccc(Cl)c23)c4ccc(cc4)N5CCN(C)CC5
InChi:InChI=1S/C28H30ClN5O/c1-4-24(35)31-23-17-20(6-5-18(23)2)25-26-22(29)11-12-30-28(26)32-27(25)19-7-9-21(10-8-19)34-15-13-33(3)14-16-34/h5-12,17H,4,13-16H2,1-3H3,(H,30,32)(H,31,35)
定義日:2020-08-25
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
YB4
YB4
表記:~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
組成式:C35 H42 N8 O2
SMILES:CCC(=O)Nc1cc(ccc1Nc2ncc3CCc4n(ccc4C(=O)Nc5c(CC)cccc5CC)c3n2)N6CCN(C)CC6
InChi:InChI=1S/C35H42N8O2/c1-5-23-9-8-10-24(6-2)32(23)39-34(45)27-15-16-43-30(27)14-11-25-22-36-35(40-33(25)43)38-28-13-12-26(21-29(28)37-31(44)7-3)42-19-17-41(4)18-20-42/h8-10,12-13,15-16,21-22H,5-7,11,14,17-20H2,1-4H3,(H,37,44)(H,39,45)(H,36,38,40)
定義日:2021-02-15
最終更新日:2022-02-11
公開日:2022-02-16
識別子（ID）:~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
BKF
BKF
表記:(1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate
組成式:C32 H43 Cl N2 O9
SMILES:C3C(C4(C)C(C(C)C1OC(=O)NC(C1)(C(C=CC=C(C)Cc2cc(c(c(c2)N(C3=O)C)Cl)OC)OC)O)O4)OC(=O)C(C)C
InChi:InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9-,18-10-/t19-,23-,24+,25-,28-,31-,32-/m0/s1
定義日:2019-02-12
最終更新日:2022-02-11
公開日:2022-02-16
識別子（ID）:(1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate
9I7
9I7
表記:(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C23 H34 F3 N5 O4
SMILES:CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:InChI=1S/C23H34F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h9,11-16,27H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/b27-9-/t11-,12-,13-,14-,15-,16+/m0/s1
定義日:2021-10-13
最終更新日:2022-02-08
公開日:2021-10-20
識別子（ID）:(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
H9I
H9I
表記:3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid
組成式:C20 H26 N4 O5
SMILES:O=C(O)CCc1ccccc1OCC1(COc2c(N)nc(N)nc2CC)COC1
InChi:InChI=1S/C20H26N4O5/c1-2-14-17(18(21)24-19(22)23-14)29-12-20(9-27-10-20)11-28-15-6-4-3-5-13(15)7-8-16(25)26/h3-6H,2,7-12H2,1H3,(H,25,26)(H4,21,22,23,24)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid
XQP
XQP
表記:(2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
組成式:C20 H22 N6 O10 S
SMILES:C(O)(C(NC(=O)C(C(=O)O)c1ccc(cc1)O)(C2OCC(=C(C(O)=O)N2)CSc3n(C)nnn3)OC)=O
InChi:InChI=1S/C20H22N6O10S/c1-26-19(23-24-25-26)37-8-10-7-36-17(21-13(10)16(31)32)20(35-2,18(33)34)22-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,17,21,27H,7-8H2,1-2H3,(H,22,28)(H,29,30)(H,31,32)(H,33,34)/t12-,17-,20-/m1/s1
定義日:2021-01-04
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid
HIK
HIK
表記:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol
組成式:C17 H25 N5 O3
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ncccc1CCCO
InChi:InChI=1S/C17H25N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3,6,8,23H,2,4-5,7,9-11H2,1H3,(H4,18,19,21,22)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol
HJI
HJI
表記:(2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
組成式:C19 H24 F2 N4 O4
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C(=O)O)C(F)F
InChi:InChI=1S/C19H24F2N4O4/c1-2-13-15(17(22)25-19(23)24-13)29-9-5-8-28-14-7-4-3-6-11(14)10-12(16(20)21)18(26)27/h3-4,6-7,12,16H,2,5,8-10H2,1H3,(H,26,27)(H4,22,23,24,25)/t12-/m0/s1
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
GHU
GHU
表記:ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate
組成式:C20 H28 N4 O4
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)OCC
InChi:InChI=1S/C20H28N4O4/c1-3-15-18(19(21)24-20(22)23-15)28-13-7-12-27-16-9-6-5-8-14(16)10-11-17(25)26-4-2/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H4,21,22,23,24)
定義日:2021-12-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate
GI6
GI6
表記:(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide
組成式:C19 H27 N5 O3
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(N)=O
InChi:InChI=1S/C19H27N5O3/c1-3-14-16(17(20)24-19(22)23-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(21)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H2,21,25)(H4,20,22,23,24)/t12-/m1/s1
定義日:2021-12-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide
I6J
I6J
表記:(2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
組成式:C19 H24 F2 N4 O4
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C(=O)O)C(F)F
InChi:InChI=1S/C19H24F2N4O4/c1-2-13-15(17(22)25-19(23)24-13)29-9-5-8-28-14-7-4-3-6-11(14)10-12(16(20)21)18(26)27/h3-4,6-7,12,16H,2,5,8-10H2,1H3,(H,26,27)(H4,22,23,24,25)/t12-/m1/s1
定義日:2022-01-17
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
I87
I87
表記:(2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
組成式:C9 H20 N2 O3 S
SMILES:CC1CN(CCO1)S(=O)(=O)N(C)C(C)C
InChi:InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m0/s1
定義日:2022-01-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
I8J
I8J
表記:5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine
組成式:C9 H14 F N O2 S
SMILES:FC=1CN(CCC=1)S(=O)(=O)C1(C)CC1
InChi:InChI=1S/C9H14FNO2S/c1-9(4-5-9)14(12,13)11-6-2-3-8(10)7-11/h3H,2,4-7H2,1H3
定義日:2022-01-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine
GUU
GUU
表記:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide
組成式:C19 H27 N5 O5 S
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(C)(=O)=O
InChi:InChI=1S/C19H27N5O5S/c1-3-14-17(18(20)23-19(21)22-14)29-12-6-11-28-15-8-5-4-7-13(15)9-10-16(25)24-30(2,26)27/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide

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件を2024-07-10に公開中

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