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MC8
MC8
表記:2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(1S)-2-{[(3R,5Z)-3-{4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-1-formylethyl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid
組成式:C23 H28 N10 O13 S2
SMILES:O=C(O)C(ON=C(c1nc(sc1)N)C(=O)NC(C=O)C/N=C4OOS(O)(N3N=C(c2ncc(O)c(O)c2)N(C3=O)CC(O)CO)N4)(C)C
InChi:InChI=1S/C23H28N10O13S2/c1-23(2,19(40)41)45-30-16(13-9-47-20(24)28-13)18(39)27-10(7-34)4-26-21-31-48(43,46-44-21)33-22(42)32(6-11(36)8-35)17(29-33)12-3-14(37)15(38)5-25-12/h3,5,7,9-11,35-36,38,43H,4,6,8H2,1-2H3,(H2,24,28)(H,25,37)(H,26,31)(H,27,39)(H,40,41)/b30-16-/t10-,11+/m0/s1
別名:MC-1
定義日:2010-10-26
最終更新日:2021-03-01
識別子（ID）:2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S)-1-{[(3R,5Z)-3-{4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-3-hydroxy-1,2,3lambda~4~,4-dioxathiazolidin-5-ylidene]amino}-3-oxopropan-2-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid
1OD
1OD
表記:(4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
組成式:C31 H34 N4 O10
SMILES:O=C(N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c2cccc(O)c2O)C3N=C(OC3C)c4cccc(O)c4O
InChi:InChI=1S/C31H34N4O10/c1-17-24(34-30(45-17)20-9-4-12-23(38)27(20)41)31(44)35(15-5-13-32-28(42)18-7-2-10-21(36)25(18)39)16-6-14-33-29(43)19-8-3-11-22(37)26(19)40/h2-4,7-12,17,24,36-41H,5-6,13-16H2,1H3,(H,32,42)(H,33,43)/t17-,24+/m1/s1
別名:fluvibactin
定義日:2013-06-17
最終更新日:2021-03-01
公開日:2013-07-31
識別子（ID）:(4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
MCG
MCG
表記:(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE
組成式:C10 H11 N O4
SMILES:O=C(O)C(N)(c1ccc(C(=O)O)cc1)C
InChi:InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
別名:4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID
定義日:2002-01-07
最終更新日:2021-03-01
識別子（ID）:4-[(1S)-1-amino-1-carboxyethyl]benzoic acid
MD2
MD2
表記:N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE
組成式:C12 H20 N2
SMILES:C(=CCNCCCCNC/C=C=C)=C
InChi:InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2
別名:MDL72527
定義日:1999-08-03
最終更新日:2021-03-01
識別子（ID）:N,N'-dibuta-2,3-dien-1-ylbutane-1,4-diamine
1PE
1PE
表記:PENTAETHYLENE GLYCOL
組成式:C10 H22 O6
SMILES:O(CCO)CCOCCOCCOCCO
InChi:InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
別名:PEG400
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:3,6,9,12-tetraoxatetradecane-1,14-diol
1PQ
1PQ
表記:(4S)-N~4~-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
組成式:C15 H21 N3 O
SMILES:COc1cc(N[CH](C)CCCN)c2ncccc2c1
InChi:InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/t11-/m0/s1
別名:primaquine
定義日:2012-06-06
最終更新日:2021-03-01
公開日:2013-03-13
識別子（ID）:(4S)-N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
1PV
1PV
表記:[4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
組成式:C27 H25 B F2 N2 O6 S
SMILES:Fc1c(B(O)O)ccc(c1)CN(c4c(cc2c(oc(c2C(=O)NC)c3ccc(F)cc3)c4)C5CC5)S(=O)(=O)C
InChi:InChI=1S/C27H25BF2N2O6S/c1-31-27(33)25-20-12-19(16-4-5-16)23(13-24(20)38-26(25)17-6-8-18(29)9-7-17)32(39(2,36)37)14-15-3-10-21(28(34)35)22(30)11-15/h3,6-13,16,34-35H,4-5,14H2,1-2H3,(H,31,33)
別名:GSK5852
定義日:2013-04-23
最終更新日:2021-03-01
公開日:2013-05-08
識別子（ID）:[4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
MEI
MEI
表記:(2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID
組成式:C16 H28 O3
SMILES:O=C(O)C=C(C=CCC(CCCC(OC)(C)C)C)C
InChi:InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1
別名:METOPRENIC ACID
定義日:2003-08-26
最終更新日:2021-03-01
識別子（ID）:(2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
1QK
1QK
表記:3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium
組成式:C21 H29 N6 O2
SMILES:n2c(cc(NCc1ccc[n+](O)c1)n3ncc(c23)CC)N4C(CCO)CCCC4
InChi:InChI=1S/C21H29N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28-29H,2-4,7-8,10-11,13H2,1H3/q+1/t18-/m0/s1
別名:DINACICLIB
定義日:2013-04-26
最終更新日:2021-03-01
識別子（ID）:3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium
MEM
MEM
表記:(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
組成式:C17 H25 N3 O5 S
SMILES:O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(=O)C(C(O)C)C1C2C)C3
InChi:InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
別名:Meropenem (closed form)
定義日:2012-04-30
最終更新日:2021-03-01
識別子（ID）:(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
1QW
1QW
表記:(2R)-2,3-dihydroxypropyl dodecanoate
組成式:C15 H30 O4
SMILES:O=C(OCC(O)CO)CCCCCCCCCCC
InChi:InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1
別名:1-Lauroyl-rac-glycerol
定義日:2013-05-01
最終更新日:2021-03-01
公開日:2013-09-18
識別子（ID）:(2R)-2,3-dihydroxypropyl dodecanoate
MF5
MF5
表記:1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine
組成式:C14 H10 F5 N2 O
SMILES:Fc1c(F)c(F)c(F)c(F)c1CON=Cc2[n+](cccc2)C
InChi:InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+
別名:methyl2-(pentafluorobenzyloxyimino)pyridinium
定義日:2012-07-04
最終更新日:2021-03-01
公開日:2012-08-24
識別子（ID）:1-methyl-2-[(E)-{[(pentafluorobenzyl)oxy]imino}methyl]pyridinium
1R4
1R4
表記:L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine
組成式:C18 H22 N4 O9 S
SMILES:O=[N+]([O-])c1ccc(C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)cc1
InChi:InChI=1S/C18H22N4O9S/c19-12(18(28)29)5-6-15(24)21-13(17(27)20-7-16(25)26)8-32-9-14(23)10-1-3-11(4-2-10)22(30)31/h1-4,12-13H,5-9,19H2,(H,20,27)(H,21,24)(H,25,26)(H,28,29)/t12-,13-/m0/s1
別名:S-(4-nitrophenacyl)glutathione
定義日:2013-01-22
最終更新日:2021-03-01
公開日:2013-04-24
識別子（ID）:L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine
MFX
MFX
表記:1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
組成式:C21 H24 F N3 O4
SMILES:Fc2cc1C(=O)C(C(=O)O)=CN(c1c(OC)c2N4CC3CCCNC3C4)C5CC5
InChi:InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
別名:moxifloxacin
定義日:2009-01-15
最終更新日:2021-03-01
識別子（ID）:1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
MG0
MG0
表記:2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
組成式:C18 H18 F6 N4 O3 S
SMILES:O=S(=O)(c1ccc(nc1)N)N3CCN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3
InChi:InChI=1S/C18H18F6N4O3S/c19-17(20,21)16(29,18(22,23)24)12-1-3-13(4-2-12)27-7-9-28(10-8-27)32(30,31)14-5-6-15(25)26-11-14/h1-6,11,29H,7-10H2,(H2,25,26)
別名:AMG-5980
定義日:2013-10-02
最終更新日:2021-03-01
公開日:2014-05-07
識別子（ID）:2-(4-{4-[(6-aminopyridin-3-yl)sulfonyl]piperazin-1-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
MGD
MGD
表記:2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
組成式:C20 H26 N10 O13 P2 S2
SMILES:O=C1C=2NC3C(S)=C(S)C(OC3NC=2N=C(N)N1)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O
InChi:InChI=1S/C20H26N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1
別名:MOLYBDOPTERIN GUANOSINE DINUCLEOTIDE
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:5'-O-[(R)-{[(S)-{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
MGJ
MGJ
表記:N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide
組成式:C20 H27 N5 O4
SMILES:O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)NC)Cc2ncnc2
InChi:InChI=1S/C20H27N5O4/c1-21-20(29)17(10-16-11-22-14-23-16)24-18(26)12-25(13-19(27)28)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,29)(H,22,23)(H,24,26)(H,27,28)/t17-/m0/s1
別名:[{[(S)-2-(1H-Imidazol-4-yl)-1-methylcarbamoyl-ethylcarbamoyl]-methyl}-(3-phenyl-propyl)-amino]-acetic acid
定義日:2011-04-19
最終更新日:2021-03-01
公開日:2013-08-28
識別子（ID）:N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-N-methyl-L-histidinamide
MGK
MGK
表記:methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate
組成式:C20 H26 N4 O5
SMILES:O=C(O)CN(CCCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2
InChi:InChI=1S/C20H26N4O5/c1-29-20(28)17(10-16-11-21-14-22-16)23-18(25)12-24(13-19(26)27)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,11,14,17H,5,8-10,12-13H2,1H3,(H,21,22)(H,23,25)(H,26,27)/t17-/m0/s1
別名:((S)-2-{2-[Carboxymethyl-(3-phenyl-propyl)-amino]-acetylamino}-3-(1H-imidazol-4-yl)-propionic acid methyl ester
定義日:2011-04-19
最終更新日:2021-03-01
公開日:2013-04-03
識別子（ID）:methyl N-(carboxymethyl)-N-(3-phenylpropyl)glycyl-L-histidinate
MGZ
MGZ
表記:(2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
組成式:C15 H10 Cl F3 O3
SMILES:Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)(F)F)C(=O)O
InChi:InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)/t13-/m1/s1
別名:Metaglidasen
定義日:2014-04-08
最終更新日:2021-03-01
公開日:2015-02-11
識別子（ID）:(2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid
1SZ
1SZ
表記:N-[5-[[4-[[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-4-oxidanylidene-butyl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[[1-methyl-4-[(1-methylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]imidazole-2-carboxamide
組成式:C58 H71 N21 O10
SMILES:O=C(NCCCN(C)C)CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)c3cc(cn3C)NC(=O)c4cc(cn4C)NC(=O)CCCNC(=O)c5cc(cn5C)NC(=O)c8nc(NC(=O)c7cc(NC(=O)c6nccn6C)cn7C)cn8C
InChi:InChI=1S/C58H71N21O10/c1-71(2)19-12-16-59-47(80)14-17-62-52(83)41-22-35(28-73(41)4)64-54(85)43-25-37(30-76(43)7)66-55(86)44-24-36(29-77(44)8)65-53(84)42-21-34(27-75(42)6)63-48(81)13-11-15-61-51(82)40-23-38(31-74(40)5)68-58(89)50-69-46(33-79(50)10)70-56(87)45-26-39(32-78(45)9)67-57(88)49-60-18-20-72(49)3/h18,20-33H,11-17,19H2,1-10H3,(H,59,80)(H,61,82)(H,62,83)(H,63,81)(H,64,85)(H,65,84)(H,66,86)(H,67,88)(H,68,89)(H,70,87)
別名:PYRROLE-IMIDAZOLE POLYAMIDE
定義日:2013-07-08
最終更新日:2021-03-01
公開日:2013-07-17
識別子（ID）:N-(5-{[4-({5-[(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}amino)-4-oxobutyl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-imidazole-2-carboxamide
MHA
MHA
表記:(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID
組成式:C6 H10 N2 O5
SMILES:O=C(O)CN(CC(=O)N)CC(=O)O
InChi:InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
別名:N-(2-ACETAMIDO)IMINODIACETIC ACID
定義日:2002-06-18
最終更新日:2021-03-01
識別子（ID）:2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid
1TB
1TB
表記:METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE
組成式:C15 H17 N5 O6 S
SMILES:O=C(OC)c1ccccc1S(=O)(=O)NC(=O)N(c2nc(nc(OC)n2)C)C
InChi:InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
別名:TRIBENURON METHYL
定義日:2004-07-01
最終更新日:2021-03-01
識別子（ID）:methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate
MID
MID
表記:1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine
組成式:C27 H31 N5 O4 S
SMILES:O=C(N1CCCCC1)C(NC(=O)CNS(=O)(=O)c3cc2ccccc2cc3)Cc4ccc(C(=[N@H])N)cc4
InChi:InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
別名:NAPAP
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine
MIG
MIG
表記:(2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
組成式:C8 H17 N O5
SMILES:OCCN1C[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
別名:Miglitol
定義日:2010-01-14
最終更新日:2021-03-01
識別子（ID）:(1R,2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
1UN
1UN
表記:2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
組成式:C32 H45 N3 O4 S
SMILES:O=C(c1cccc(O)c1C)NC(CSc2ccccc2)C(O)CN4C(C(=O)NC(C)(C)C)CC3CCCCC3C4
InChi:InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
別名:NELFINAVIR MESYLATE AG1343
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-{[(3-hydroxy-2-methylphenyl)carbonyl]amino}-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide

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