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7ED
7ED
表記:8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate
組成式:C42 H50 O8
SMILES:CCC(C(c1ccc(O)cc1)C(OCCCCCCCCOC(=O)C(C(CC)c2ccc(cc2)O)c3ccc(cc3)O)=O)c4ccc(O)cc4
InChi:InChI=1S/C42H50O8/c1-3-37(29-11-19-33(43)20-12-29)39(31-15-23-35(45)24-16-31)41(47)49-27-9-7-5-6-8-10-28-50-42(48)40(32-17-25-36(46)26-18-32)38(4-2)30-13-21-34(44)22-14-30/h11-26,37-40,43-46H,3-10,27-28H2,1-2H3/t37-,38?,39+,40?/m1/s1
別名:octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate)
定義日:2016-10-14
最終更新日:2021-03-13
公開日:2017-01-18
識別子（ID）:8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate
LLF
LLF
表記:(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
組成式:C10 H13 F2 N2 O5 P
SMILES:FC(F)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O
InChi:InChI=1S/C10H13F2N2O5P/c1-6-10(15)8(3-13-4-9(11)12)7(2-14-6)5-19-20(16,17)18/h2-3,9,15H,4-5H2,1H3,(H2,16,17,18)/b13-3+
別名:(E)-N-(2,2-DIFLUOROETHYL)PYRIDOXIMINE-5'-PHOSPHATE
定義日:2006-04-05
最終更新日:2021-03-13
識別子（ID）:(4-{(E)-[(2,2-difluoroethyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
LLJ
LLJ
表記:6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene
組成式:C32 H44 N4 O2
SMILES:O4CC[NH2+]Cc2cc1cc(ccc1cc2)C[NH2+]CCOCC[NH2+]Cc5ccc3c(cc(cc3)C[NH2+]CC4)c5
InChi:InChI=1S/C32H40N4O2/c1-5-29-6-2-26-18-31(29)17-25(1)21-33-9-13-37-14-10-35-23-27-3-7-30-8-4-28(20-32(30)19-27)24-36-12-16-38-15-11-34-22-26/h1-8,17-20,33-36H,9-16,21-24H2/p+4
別名:2,8,19,25-tetraaza-5,22-dioxa-[9,9](2,7)naphthalenophane
定義日:2012-02-17
最終更新日:2021-03-13
公開日:2013-02-15
識別子（ID）:6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene (non-preferred name)
7F6
7F6
表記:(1R,2R)-1,2-diphenylethane-1,2-diol
組成式:C14 H14 O2
SMILES:C(C(c1ccccc1)O)(O)c2ccccc2
InChi:InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
別名:cis-stilbene epoxide, bound form
定義日:2016-10-17
最終更新日:2021-03-13
公開日:2017-10-11
識別子（ID）:(1R,2R)-1,2-diphenylethane-1,2-diol
LM2
LM2
表記:4'-O-METHYL-MALTOSYL-ALPHA (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE
組成式:C19 H34 N2 O15
SMILES:O(C1C(O)C(O)C(=NO)NC1CO)C3OC(C(OC2OC(CO)C(OC)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C19H34N2O15/c1-32-15-6(3-23)33-19(12(29)9(15)26)36-16-7(4-24)34-18(13(30)10(16)27)35-14-5(2-22)20-17(21-31)11(28)8(14)25/h5-16,18-19,22-31H,2-4H2,1H3,(H,20,21)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19-/m1/s1
別名:4'-O-METHYL-MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM
定義日:2004-08-05
最終更新日:2021-03-13
識別子（ID）:(2R,3R,4R,5S,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl 4-O-(4-O-methyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranoside
LM8
LM8
表記:(5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid
組成式:C21 H34 O2
SMILES:O=C(O)CCCC=C/CC=C/CC=C/C(C=C/CCCCC)C
InChi:InChI=1S/C21H34O2/c1-3-4-5-11-14-17-20(2)18-15-12-9-7-6-8-10-13-16-19-21(22)23/h7-10,14-15,17-18,20H,3-6,11-13,16,19H2,1-2H3,(H,22,23)/b9-7-,10-8-,17-14-,18-15-/t20-/m0/s1
別名:(5Z,8Z,11Z,14Z)-13S-methyl-5,8,11,14-eicosatetraenoic acid
定義日:2014-11-26
最終更新日:2021-03-13
公開日:2015-02-11
識別子（ID）:(5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid
LO2
LO2
表記:2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
組成式:C22 H24 Cl F6 N O3
SMILES:Clc1cc(cc(OC)c1OC)CN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CCCC
InChi:InChI=1S/C22H24ClF6NO3/c1-4-5-10-30(13-14-11-17(23)19(33-3)18(12-14)32-2)16-8-6-15(7-9-16)20(31,21(24,25)26)22(27,28)29/h6-9,11-12,31H,4-5,10,13H2,1-3H3
別名:2-[4-(Butyl{[3-chloro-4,5-bis(methyloxy)phenyl]methyl}amino)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol
定義日:2008-11-21
最終更新日:2021-03-13
識別子（ID）:2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
LO7
LO7
表記:Mitoglitazone
組成式:C19 H18 N2 O4 S
SMILES:c2(OCC(c1ccc(CC)cn1)=O)ccc(cc2)CC3SC(=O)NC3=O
InChi:InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t17-/m0/s1
別名:(5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
定義日:2019-03-06
最終更新日:2021-03-13
公開日:2019-11-06
識別子（ID）:(5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
LPO
LPO
表記:(3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide
組成式:C33 H38 Cl3 N3 O5
SMILES:O=C(N(C1CC1)Cc2cc(ccc2Cl)CCOC)C5C(O)(c4ccc(OCCOc3c(Cl)cc(cc3Cl)C)nc4)CCNC5
InChi:InChI=1S/C33H38Cl3N3O5/c1-21-15-28(35)31(29(36)16-21)44-14-13-43-30-8-4-24(18-38-30)33(41)10-11-37-19-26(33)32(40)39(25-5-6-25)20-23-17-22(9-12-42-2)3-7-27(23)34/h3-4,7-8,15-18,25-26,37,41H,5-6,9-14,19-20H2,1-2H3/t26-,33+/m1/s1
別名:(3'S,4'R)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-4'-hydroxy-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxy-ethyl)-benzyl]-cyclopropyl-amide
定義日:2010-08-12
最終更新日:2021-03-13
識別子（ID）:(3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide
LPQ
LPQ
表記:(3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide
組成式:C34 H39 Cl3 N4 O3
SMILES:O=C(N(C1CC1)Cc2cc(ccc2Cl)CNC3CC3)C6C(c5ccc(OCCOc4c(Cl)cc(cc4Cl)C)nc5)CCNC6
InChi:InChI=1S/C34H39Cl3N4O3/c1-21-14-30(36)33(31(37)15-21)44-13-12-43-32-9-3-23(18-40-32)27-10-11-38-19-28(27)34(42)41(26-6-7-26)20-24-16-22(2-8-29(24)35)17-39-25-4-5-25/h2-3,8-9,14-16,18,25-28,38-39H,4-7,10-13,17,19-20H2,1H3/t27-,28+/m1/s1
別名:(3'R,4'S)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid (2-chloro-5-cyclopropylaminomethyl-benzyl)-cyclopropyl-amide
定義日:2010-08-11
最終更新日:2021-03-13
識別子（ID）:(3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide
7JE
7JE
表記:5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide
組成式:C29 H24 F N3 O4
SMILES:Cn1ncc2cc(ccc12)[CH](O)c3cccc(CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)c3
InChi:InChI=1S/C29H24FN3O4/c1-33-25-10-7-20(12-22(25)16-32-33)27(35)19-4-2-3-17(11-19)15-31-29(37)24-13-21(14-26(34)28(24)36)18-5-8-23(30)9-6-18/h2-14,16,27,34-36H,15H2,1H3,(H,31,37)/t27-/m1/s1
別名:5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[hydroxy-(1-methylindazol-5-yl)methyl]phenyl]methyl]benzamide
定義日:2016-11-02
最終更新日:2021-03-13
公開日:2017-11-22
識別子（ID）:5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide
7JF
7JF
表記:7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
組成式:C20 H11 F3 N2 O2
SMILES:Oc1c(F)c(c2ccc(F)cc2)c(c3ccc(F)cc3)c4C(=O)NC=Nc14
InChi:InChI=1S/C20H11F3N2O2/c21-12-5-1-10(2-6-12)14-15(11-3-7-13(22)8-4-11)17(23)19(26)18-16(14)20(27)25-9-24-18/h1-9,26H,(H,24,25,27)
別名:7-fluoro-5,6-bis(4-fluorophenyl)-8-hydroxy-3H-quinazolin-4-one
定義日:2016-11-02
最終更新日:2021-03-13
公開日:2017-11-22
識別子（ID）:7-fluoranyl-5,6-bis(4-fluorophenyl)-8-oxidanyl-3~{H}-quinazolin-4-one
7JH
7JH
表記:6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one
組成式:C13 H11 N3 O2 S
SMILES:Cc1sc(c(C)n1)c2cc(O)c3N=CNC(=O)c3c2
InChi:InChI=1S/C13H11N3O2S/c1-6-12(19-7(2)16-6)8-3-9-11(10(17)4-8)14-5-15-13(9)18/h3-5,17H,1-2H3,(H,14,15,18)
別名:6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-hydroxy-3H-quinazolin-4-one
定義日:2016-11-02
最終更新日:2021-03-13
公開日:2017-11-22
識別子（ID）:6-(2,4-dimethyl-1,3-thiazol-5-yl)-8-oxidanyl-3~{H}-quinazolin-4-one
7KZ
7KZ
表記:N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine
組成式:C22 H35 N5 O2
SMILES:C(CCCC)CNc3nc(NC1CCN(C)CC1)c2cc(c(OC)cc2n3)OC
InChi:InChI=1S/C22H35N5O2/c1-5-6-7-8-11-23-22-25-18-15-20(29-4)19(28-3)14-17(18)21(26-22)24-16-9-12-27(2)13-10-16/h14-16H,5-13H2,1-4H3,(H2,23,24,25,26)
別名:N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
定義日:2016-11-07
最終更新日:2021-03-13
公開日:2016-12-21
識別子（ID）:N~2~-hexyl-6,7-dimethoxy-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
LSD
LSD
表記:Lasalocid A
組成式:C34 H54 O8
SMILES:O=C(O)c1c(O)c(ccc1CCC(C)C(O)C(C(=O)C(CC)C2OC(CC2C)(C3OC(C)C(O)(CC)CC3)CC)C)C
InChi:InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1
別名:6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
定義日:2015-01-09
最終更新日:2021-03-13
公開日:2015-01-21
識別子（ID）:6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
587
587
表記:C32-O-(1-METHYL-INDOL-5-YL) 18-HYDROXY-ASCOMYCIN
組成式:C52 H76 N2 O13
SMILES:O=C5C(=O)N1CCCCC1C(=O)OC(C(=C/C4CCC(Oc3cc2ccn(c2cc3)C)C(OC)C4)/C)C(C)C(O)CC(=O)C(C=C(C(O)C(CC(OC)C6OC5(O)C(C)CC6OC)C)C)CC
InChi:InChI=1S/C52H76N2O13/c1-11-35-23-29(2)46(57)30(3)24-44(63-9)48-45(64-10)25-32(5)52(61,67-48)49(58)50(59)54-20-13-12-14-39(54)51(60)66-47(33(6)40(55)28-41(35)56)31(4)22-34-15-18-42(43(26-34)62-8)65-37-16-17-38-36(27-37)19-21-53(38)7/h16-17,19,21-23,27,30,32-35,39-40,42-48,55,57,61H,11-15,18,20,24-26,28H2,1-10H3/b29-23+,31-22+/t30-,32-,33-,34+,35-,39+,40+,42-,43-,44+,45+,46-,47-,48-,52-/m1/s1
別名:L-709,587
定義日:1999-07-08
最終更新日:2021-03-13
識別子（ID）:(3S,4R,5S,8R,9E,11S,12R,14S,15R,16S,18R,19R,26aS)-8-ethyl-5,11,19-trihydroxy-14,16-dimethoxy-3-[(E)-2-{(1R,3R,4R)-3-methoxy-4-[(1-methyl-1H-indol-5-yl)oxy]cyclohexyl}-1-methylethenyl]-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone
58F
58F
表記:p-iodo Hoechst
組成式:C25 H23 I N6
SMILES:c1(I)ccc(cc1)c2nc3c(n2)ccc(c3)c4nc5c(n4)ccc(c5)N6CCN(CC6)C
InChi:InChI=1S/C25H23IN6/c1-31-10-12-32(13-11-31)19-7-9-21-23(15-19)30-25(28-21)17-4-8-20-22(14-17)29-24(27-20)16-2-5-18(26)6-3-16/h2-9,14-15H,10-13H2,1H3,(H,27,29)(H,28,30)
別名:2'-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole
定義日:2015-08-20
最終更新日:2021-03-13
公開日:2016-03-16
識別子（ID）:2'-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzimidazole
5A2
5A2
表記:3,5-di-methylenebisphosphonate inositol tetrakisphosphate
組成式:C8 H24 O28 P8
SMILES:C1(C(C(C(C(C1OP(O)(O)=O)OP(O)(CP(O)(O)=O)=O)OP(O)(=O)O)OP(CP(O)(O)=O)(=O)O)OP(O)(=O)O)OP(O)(O)=O
InChi:InChI=1S/C8H24O28P8/c9-37(10,11)1-39(15,16)31-3-5(33-41(19,20)21)4(32-40(17,18)2-38(12,13)14)7(35-43(25,26)27)8(36-44(28,29)30)6(3)34-42(22,23)24/h3-8H,1-2H2,(H,15,16)(H,17,18)(H2,9,10,11)(H2,12,13,14)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t3-,4+,5-,6-,7-,8-/m1/s1
別名:{[(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)
定義日:2015-08-28
最終更新日:2021-03-13
公開日:2016-08-10
識別子（ID）:{[(1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(hydroxyphosphoryl)methanediyl]}bis(phosphonic acid)
M07
M07
表記:(5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)-3-(4-METHOXYPHENYL)-1,6-DIOXA-2-AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL
組成式:C15 H19 N O7
SMILES:N=2OC1(OC(C(O)C(O)C1O)CO)CC=2c3ccc(OC)cc3
InChi:InChI=1S/C15H19NO7/c1-21-9-4-2-8(3-5-9)10-6-15(23-16-10)14(20)13(19)12(18)11(7-17)22-15/h2-5,11-14,17-20H,6-7H2,1H3/t11-,12-,13+,14-,15-/m1/s1
別名:(1R)-3'-(4-METHOXYPHENYL)-SPIRO[1,5-ANHYDRO-D-GLUCITOL-1,5'-ISOXAZOLINE]
定義日:2007-08-24
最終更新日:2021-03-13
識別子（ID）:(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methoxyphenyl)-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
M08
M08
表記:(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
組成式:C14 H17 N O6
SMILES:N=2OC1(OC(C(O)C(O)C1O)CO)CC=2c3ccccc3
InChi:InChI=1S/C14H17NO6/c16-7-10-11(17)12(18)13(19)14(20-10)6-9(15-21-14)8-4-2-1-3-5-8/h1-5,10-13,16-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1
別名:(1R)-3'-phenylspiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]
定義日:2007-08-24
最終更新日:2021-03-13
識別子（ID）:(5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol
M09
M09
表記:(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
組成式:C14 H18 N2 O8
SMILES:[O-][N+](=O)c1ccc(cc1)C3NOC2(OC(C(O)C(O)C2O)CO)C3
InChi:InChI=1S/C14H18N2O8/c17-6-10-11(18)12(19)13(20)14(23-10)5-9(15-24-14)7-1-3-8(4-2-7)16(21)22/h1-4,9-13,15,17-20H,5-6H2/t9-,10+,11+,12-,13+,14+/m0/s1
別名:(1R)-3'-(4-nitrophenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]
定義日:2007-09-04
最終更新日:2021-03-13
識別子（ID）:(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-nitrophenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol
M1M
M1M
表記:1,1-Methanediyl Bismethanethiosulfonate
組成式:C3 H8 O4 S4
SMILES:S(S(=O)(=O)C)CSS(=O)(=O)C
InChi:InChI=1S/C3H8O4S4/c1-10(4,5)8-3-9-11(2,6)7/h3H2,1-2H3
別名:S,S'-methylene dimethanesulfonothioate
定義日:2016-05-12
最終更新日:2021-03-13
公開日:2020-05-27
識別子（ID）:S,S'-methylene dimethanesulfonothioate
5H8
5H8
表記:N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-3-methyl-L-valine
組成式:C21 H34 N3 O7 P
SMILES:c1ccc(COC(=O)NCP(=O)(O)NC(C(NC(C(=O)O)C(C)(C)C)=O)CC(C)C)cc1
InChi:InChI=1S/C21H34N3O7P/c1-14(2)11-16(18(25)23-17(19(26)27)21(3,4)5)24-32(29,30)13-22-20(28)31-12-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t16-,17+/m0/s1
別名:(6S,9S)-1-(benzyloxy)-9-(tert-butyl)-6-isobutyl-4-oxido-1,4,7-trioxo-2,5,8-triaza-4-phosphadecan-10-oate
定義日:2015-09-25
最終更新日:2021-03-13
公開日:2015-10-28
識別子（ID）:N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-3-methyl-L-valine
5H9
5H9
表記:N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-4-methyl-L-leucine
組成式:C22 H36 N3 O7 P
SMILES:c1ccc(COC(=O)NCP(=O)(O)NC(C(NC(C(=O)O)CC(C)(C)C)=O)CC(C)C)cc1
InChi:InChI=1S/C22H36N3O7P/c1-15(2)11-17(19(26)24-18(20(27)28)12-22(3,4)5)25-33(30,31)14-23-21(29)32-13-16-9-7-6-8-10-16/h6-10,15,17-18H,11-14H2,1-5H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31)/t17-,18-/m0/s1
別名:(6S,9S)-1-(benzyloxy)-6-isobutyl-9-neopentyl-4-oxido-1,4,7-trioxo-2,5,8-triaza-4-phosphadecan-10-oate
定義日:2015-09-25
最終更新日:2021-03-13
公開日:2015-10-28
識別子（ID）:N-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-4-methyl-L-leucine
M2P
M2P
表記:D-MANNITOL-1,6-DIPHOSPHATE
組成式:C6 H16 O12 P2
SMILES:O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O
InChi:InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1
別名:1,6-DI-O-PHOSPHONO-D-MANNITOL
定義日:2005-04-26
最終更新日:2021-03-13
識別子（ID）:1,6-di-O-phosphono-D-mannitol

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