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I6U
I6U
表記:(11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide
組成式:C19 H20 N4 O4 S
SMILES:N[S](=O)(=O)c1ccc(NC(=O)N2C[CH]3N(CCc4ccccc34)C(=O)C2)cc1
InChi:InChI=1S/C19H20N4O4S/c20-28(26,27)15-7-5-14(6-8-15)21-19(25)22-11-17-16-4-2-1-3-13(16)9-10-23(17)18(24)12-22/h1-8,17H,9-12H2,(H,21,25)(H2,20,26,27)/t17-/m0/s1
定義日:2022-02-15
最終更新日:2023-02-17
公開日:2023-02-22
識別子（ID）:(11~{b}~{R})-4-oxidanylidene-~{N}-(4-sulfamoylphenyl)-3,6,7,11~{b}-tetrahydro-1~{H}-pyrazino[2,1-a]isoquinoline-2-carboxamide
IKF
IKF
表記:phenylsulfinylmethylbenzene
組成式:C13 H12 O S
SMILES:O=[S](Cc1ccccc1)c2ccccc2
InChi:InChI=1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/t15-/m0/s1
定義日:2022-03-28
最終更新日:2023-02-17
公開日:2023-02-22
識別子（ID）:phenylsulfinylmethylbenzene
FI7
FI7
表記:2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid
組成式:C19 H22 N4 O5
SMILES:CC(C)(Cc1onc(n1)c2ccc(O)cn2)C(=O)NC3=C(CCCC3)C(O)=O
InChi:InChI=1S/C19H22N4O5/c1-19(2,18(27)21-13-6-4-3-5-12(13)17(25)26)9-15-22-16(23-28-15)14-8-7-11(24)10-20-14/h7-8,10,24H,3-6,9H2,1-2H3,(H,21,27)(H,25,26)
定義日:2022-04-26
最終更新日:2023-02-17
公開日:2023-02-22
識別子（ID）:2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid
IXQ
IXQ
表記:N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide
組成式:C19 H17 Cl F N7 O2 S
SMILES:CN(c1ncccc1CNc2ccnc(n2)c3[nH]c4cc(Cl)c(F)cc4n3)[S](C)(=O)=O
InChi:InChI=1S/C19H17ClFN7O2S/c1-28(31(2,29)30)19-11(4-3-6-23-19)10-24-16-5-7-22-17(27-16)18-25-14-8-12(20)13(21)9-15(14)26-18/h3-9H,10H2,1-2H3,(H,25,26)(H,22,24,27)
別名:N-(3-{[2-(5-Chloro-6-fluoro-1H-benzoimidazol-2-yl)-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-N-methyl-methanesulfonamide
定義日:2022-04-20
最終更新日:2023-02-17
公開日:2023-02-22
識別子（ID）:~{N}-[3-[[[2-(6-chloranyl-5-fluoranyl-1~{H}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{N}-methyl-methanesulfonamide
IYI
IYI
表記:[9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
組成式:C35 H42 F3 N4 O8 S
SMILES:CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCN[S](=O)(=O)C(F)(F)F)=[N+](C)C)c1
InChi:InChI=1S/C35H41F3N4O8S/c1-41(2)24-9-12-27-30(21-24)50-31-22-25(42(3)4)10-13-28(31)32(27)29-20-23(8-11-26(29)34(44)45)33(43)39-15-17-49-19-18-48-16-7-5-6-14-40-51(46,47)35(36,37)38/h8-13,20-22,40H,5-7,14-19H2,1-4H3,(H-,39,43,44,45)/p+1
定義日:2022-04-20
最終更新日:2023-02-17
公開日:2023-02-22
識別子（ID）:[9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
IYL
IYL
表記:[9-[2-carboxy-5-[2-[2-(5-oxidanylpentoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
組成式:C34 H42 N3 O7
SMILES:CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCO)=[N+](C)C)c1
InChi:InChI=1S/C34H41N3O7/c1-36(2)24-9-12-27-30(21-24)44-31-22-25(37(3)4)10-13-28(31)32(27)29-20-23(8-11-26(29)34(40)41)33(39)35-14-17-43-19-18-42-16-7-5-6-15-38/h8-13,20-22,38H,5-7,14-19H2,1-4H3,(H-,35,39,40,41)/p+1
定義日:2022-04-20
最終更新日:2023-02-17
公開日:2023-02-22
識別子（ID）:[9-[2-carboxy-5-[2-[2-(5-oxidanylpentoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
IYO
IYO
表記:[9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
組成式:C35 H45 N4 O8 S
SMILES:CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCN[S](C)(=O)=O)=[N+](C)C)c1
InChi:InChI=1S/C35H44N4O8S/c1-38(2)25-10-13-28-31(22-25)47-32-23-26(39(3)4)11-14-29(32)33(28)30-21-24(9-12-27(30)35(41)42)34(40)36-16-18-46-20-19-45-17-8-6-7-15-37-48(5,43)44/h9-14,21-23,37H,6-8,15-20H2,1-5H3,(H-,36,40,41,42)/p+1
定義日:2022-04-20
最終更新日:2023-02-17
公開日:2023-02-22
識別子（ID）:[9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
K3R
K3R
表記:~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
組成式:C29 H32 N8 O
SMILES:Cn1cc(cn1)c2ccc(CNc3cc(ncn3)c4cnc5cc(OCCCN6CCCC6)ccn45)cc2
InChi:InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33)
別名:[4-(1-Methyl-1H-pyrazol-4-yl)-benzyl]-{6-[7-(3-pyrrolidin-1-yl-propoxy)-imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-yl}-amine
定義日:2022-05-19
最終更新日:2023-02-17
公開日:2023-02-22
識別子（ID）:~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
C84
C84
表記:[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid
組成式:C21 H34 N6 O16 P2
SMILES:CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)O[CH]1C[CH](O)[CH](O1)n2cnc3c(N[P](O)(=O)O[CH]4[CH](O)O[CH](CO)[CH](O)[CH]4O)ncnc23
InChi:InChI=1S/C21H34N6O16P2/c1-7(2)12(30)15(33)19(34)26-45(38,39)42-10-3-8(29)20(41-10)27-6-24-11-17(22-5-23-18(11)27)25-44(36,37)43-16-14(32)13(31)9(4-28)40-21(16)35/h5-10,12-16,20-21,28-33,35H,3-4H2,1-2H3,(H2,26,34,38,39)(H2,22,23,25,36,37)/t8-,9+,10+,12-,13+,14-,15+,16+,20+,21+/m0/s1
別名:Agrocin 84 (beta-D-glucopyranose form)
定義日:2014-04-02
最終更新日:2023-02-15
公開日:2015-08-19
識別子（ID）:[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-~{N}-[9-[(2~{R},3~{S},5~{R})-5-[[[(2~{R},3~{S})-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid
6YG
6YG
表記:(6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol
組成式:C19 H21 N5 O2 S
SMILES:COc1ncc(cn1)CN1CCCC(C1)c1nc(O)cc(n1)c1cccs1
InChi:InChI=1S/C19H21N5O2S/c1-26-19-20-9-13(10-21-19)11-24-6-2-4-14(12-24)18-22-15(8-17(25)23-18)16-5-3-7-27-16/h3,5,7-10,14H,2,4,6,11-12H2,1H3,(H,22,23,25)/t14-/m0/s1
定義日:2016-07-26
最終更新日:2023-02-13
公開日:2016-08-23
識別子（ID）:(6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol
YG0
YG0
表記:N-phenylcyclopropanecarboxamide
組成式:C10 H11 N O
SMILES:O=C(Nc1ccccc1)C1CC1
InChi:InChI=1S/C10H11NO/c12-10(8-6-7-8)11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)
定義日:2023-01-27
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:N-phenylcyclopropanecarboxamide
YG5
YG5
表記:2-(1H-indazol-1-yl)-N,N-dimethylacetamide
組成式:C11 H13 N3 O
SMILES:CN(C)C(=O)Cn1ncc2ccccc21
InChi:InChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3
定義日:2023-01-27
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:2-(1H-indazol-1-yl)-N,N-dimethylacetamide
YG9
YG9
表記:(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
組成式:C13 H16 N2 O3
SMILES:COc1ccc(cc1)CCC1(C)NC(=O)NC1=O
InChi:InChI=1S/C13H16N2O3/c1-13(11(16)14-12(17)15-13)8-7-9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)/t13-/m1/s1
定義日:2023-01-28
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
YGR
YGR
表記:(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol
組成式:C31 H37 Br N4 O7
SMILES:COc1nc(cc(c1OC)C(c1cc2cc(Br)ccc2nc1OC)C(O)(CCN(C)C)c1cc(OC)nc(OC)c1)OC
InChi:InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1
定義日:2023-02-01
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol
YHF
YHF
表記:5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine
組成式:C15 H22 N5 O7 P
SMILES:O=P(O)(OC1CCCC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C15H22N5O7P/c16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(26-15)5-25-28(23,24)27-8-3-1-2-4-8/h6-9,11-12,15,21-22H,1-5H2,(H,23,24)(H2,16,17,18)/t9-,11-,12-,15-/m1/s1
定義日:2023-02-03
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine
YHK
YHK
表記:5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine
組成式:C13 H18 N5 O7 P
SMILES:O=P(O)(OC1CC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C13H18N5O7P/c14-11-8-12(16-4-15-11)18(5-17-8)13-10(20)9(19)7(24-13)3-23-26(21,22)25-6-1-2-6/h4-7,9-10,13,19-20H,1-3H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
定義日:2023-02-03
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine
YHQ
YHQ
表記:5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine
組成式:C13 H20 N5 O7 P
SMILES:CC(C)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C13H20N5O7P/c1-6(2)25-26(21,22)23-3-7-9(19)10(20)13(24-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13,19-20H,3H2,1-2H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
定義日:2023-02-03
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine
YHT
YHT
表記:5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine
組成式:C13 H16 N5 O7 P
SMILES:O=P(O)(OCC#C)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C13H16N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19-20H,3-4H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
定義日:2023-02-03
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine
WKC
WKC
表記:5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide
組成式:C25 H34 N8 O2
SMILES:NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCC(C1)N1CCN(C)C1=O
InChi:InChI=1S/C25H34N8O2/c1-31-13-14-33(25(31)35)20-3-2-12-32(16-20)21-15-28-22(23(26)34)24(30-21)29-19-6-4-17(5-7-19)18-8-10-27-11-9-18/h4-7,15,18,20,27H,2-3,8-14,16H2,1H3,(H2,26,34)(H,29,30)/t20-/m1/s1
定義日:2022-09-19
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide
OIH
OIH
表記:1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid
組成式:C28 H32 Cl F N4 O3
SMILES:CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O)=O
InChi:InChI=1S/C28H32ClFN4O3/c1-18(2)17-34(20-7-4-3-5-8-20)25-13-11-21(33-14-6-9-26(33)27(35)36)16-24(25)32-28(37)31-23-12-10-19(29)15-22(23)30/h6,9-16,18,20H,3-5,7-8,17H2,1-2H3,(H,35,36)(H2,31,32,37)
定義日:2023-02-02
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid
MIW
MIW
表記:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide
組成式:C33 H38 F2 N5 O7 P S2
SMILES:CN(C)C(=O)CCN(c1ccc2scnc2c1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C
InChi:InChI=1S/C33H38F2N5O7PS2/c1-32(2,3)28(37-29(42)26-16-19-15-20(8-10-24(19)50-26)33(34,35)48(45,46)47)31(44)40-13-6-7-23(40)30(43)39(14-12-27(41)38(4)5)21-9-11-25-22(17-21)36-18-49-25/h8-11,15-18,23,28H,6-7,12-14H2,1-5H3,(H,37,42)(H2,45,46,47)/t23-,28+/m0/s1
定義日:2022-03-16
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide
NQF
NQF
表記:(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
組成式:C23 H24 N4 O3
SMILES:NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C
InChi:InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m1/s1
定義日:2022-04-07
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
MJ6
MJ6
表記:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide
組成式:C32 H38 Br F2 N4 O7 P S
SMILES:CN(C)C(=O)CCN(c1ccc(Br)cc1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C
InChi:InChI=1S/C32H38BrF2N4O7PS/c1-31(2,3)27(36-28(41)25-18-19-17-20(8-13-24(19)48-25)32(34,35)47(44,45)46)30(43)39-15-6-7-23(39)29(42)38(16-14-26(40)37(4)5)22-11-9-21(33)10-12-22/h8-13,17-18,23,27H,6-7,14-16H2,1-5H3,(H,36,41)(H2,44,45,46)/t23-,27+/m0/s1
定義日:2022-03-16
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide
XZF
XZF
表記:Polythiazide
組成式:C11 H13 Cl F3 N3 O4 S3
SMILES:NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)N(C)S2(=O)=O)cc1Cl
InChi:InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)/t10-/m0/s1
別名:(3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide
定義日:2022-12-15
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide
X7H
X7H
表記:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
組成式:C29 H38 Cl N3 O8 S
SMILES:ClCC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12
InChi:InChI=1S/C29H38ClN3O8S/c1-19(2)16-33(42(37,38)22-10-8-21(9-11-22)31-27(35)15-30)17-25(34)24(14-20-6-4-3-5-7-20)32-29(36)41-26-18-40-28-23(26)12-13-39-28/h3-11,19,23-26,28,34H,12-18H2,1-2H3,(H,31,35)(H,32,36)/t23-,24-,25+,26-,28+/m0/s1
定義日:2022-11-03
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(2-chloroacetamido)benzene-1-sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

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件を2025-10-22に公開中

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