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2Z3
2Z3
表記:N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide
組成式:C32 H49 F2 N5 O7
SMILES:O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3
InChi:InChI=1S/C32H49F2N5O7/c1-3-4-15-24(27(40)38-26(21-23-13-9-6-10-14-23)32(44,45)31(33,34)29(42)35-2)36-28(41)25(20-22-11-7-5-8-12-22)37-30(43)39-16-18-46-19-17-39/h5,7-8,11-12,23-26,44-45H,3-4,6,9-10,13-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)(H,38,40)/t24-,25-,26-/m0/s1
別名:CP-81,282
定義日:2008-08-28
最終更新日:2021-03-13
識別子（ID）:N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide
2ZS
2ZS
表記:N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide
組成式:C31 H48 N4 O7 S
SMILES:O=C(NC(C(=O)NC(C(=O)NC(C(O)C(=O)OC(C)C)CC1CCCCC1)CSC)Cc2ccccc2)N3CCOCC3
InChi:InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1
別名:CP-80,794
定義日:2008-09-08
最終更新日:2021-03-13
識別子（ID）:N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide
303
303
表記:6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE
組成式:C24 H26 N4 O
SMILES:O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc3ccc4c(c3)C(NCC4)C(C)C
InChi:InChI=1S/C24H26N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14,22,27H,9-10H2,1-2H3,(H3,25,26)(H,28,29)/t22-/m0/s1
別名:6-[N-(1-ISOPROPYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE
定義日:2003-04-09
最終更新日:2021-03-13
識別子（ID）:6-carbamimidoyl-N-[(1S)-1-(1-methylethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]naphthalene-2-carboxamide
1PU
1PU
表記:1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA
組成式:C17 H16 N4 O2
SMILES:O=C3c1c(c(ccc1)NC(=O)Nc2ncccc2)C4N3CCC4
InChi:InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1
別名:N'-(PYRROLIDINO[2,1-B]ISOINDOLIN-4-ON-8-YL)-N-(PYRIDIN-2-YL)UREA
定義日:2001-02-09
最終更新日:2021-03-13
識別子（ID）:1-[(9bR)-5-oxo-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindol-9-yl]-3-pyridin-2-ylurea
1RC
1RC
表記:(1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide
組成式:C18 H17 Cl N2 O4
SMILES:Clc1cc(c(O)cc1O)C(=O)N3C(c2ccccc2C3)C(=O)NCC
InChi:InChI=1S/C18H17ClN2O4/c1-2-20-17(24)16-11-6-4-3-5-10(11)9-21(16)18(25)12-7-13(19)15(23)8-14(12)22/h3-8,16,22-23H,2,9H2,1H3,(H,20,24)/t16-/m1/s1
別名:(1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide
定義日:2009-10-22
最終更新日:2021-03-13
識別子（ID）:(1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide
MIT
MIT
表記:amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
組成式:C23 H37 N6 O5 S
SMILES:O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cccc2c3NCC(C)C2)CCCNC(=[NH2+])N
InChi:InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/p+1/t14-,15-,17+,18-/m1/s1
別名:R-argatroban
定義日:1999-07-08
最終更新日:2021-03-13
識別子（ID）:amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
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
MXF
MXF
表記:(2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid
組成式:C17 H22 N4 O7 S
SMILES:O=C(O)C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=O)NCCN
InChi:InChI=1S/C17H22N4O7S/c1-17(29(26)27,10-28-16(25)19-6-5-18)13(15(23)24)20-14-11(9-22)8-12-4-2-3-7-21(12)14/h2-4,7-9,13,20H,5-6,10,18H2,1H3,(H,19,25)(H,23,24)(H,26,27)/t13-,17-/m0/s1
別名:penam sulfone SA3-53, open form
定義日:2009-01-28
最終更新日:2021-03-13
識別子（ID）:(3R)-4-{[(2-aminoethyl)carbamoyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
NCE
NCE
表記:3,6-Bis[(3-morpholinopropionamido)] acridine
組成式:C27 H33 N5 O4
SMILES:O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCOCC4)CCN5CCOCC5
InChi:InChI=1S/C27H33N5O4/c33-26(5-7-31-9-13-35-14-10-31)28-22-3-1-20-17-21-2-4-23(19-25(21)30-24(20)18-22)29-27(34)6-8-32-11-15-36-16-12-32/h1-4,17-19H,5-16H2,(H,28,33)(H,29,34)
別名:N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)
定義日:2008-09-26
最終更新日:2021-03-13
識別子（ID）:N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)
497
497
表記:6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE
組成式:C23 H24 N4 O
SMILES:O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc3ccc4c(c3)C(CNC4)CC
InChi:InChI=1S/C23H24N4O/c1-2-14-12-26-13-19-7-8-20(11-21(14)19)27-23(28)18-6-4-15-9-17(22(24)25)5-3-16(15)10-18/h3-11,14,26H,2,12-13H2,1H3,(H3,24,25)(H,27,28)/t14-/m0/s1
別名:6-[N-(4-ETHYL-1,2,3,4-TETRAHYDRO-6-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE
定義日:2003-04-09
最終更新日:2021-03-13
識別子（ID）:6-carbamimidoyl-N-[(4R)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]naphthalene-2-carboxamide
NPM
NPM
表記:N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
組成式:C25 H20 N4
SMILES:N(/c1ccc(cc1)Cc3ccc(/N=C/c2ncccc2)cc3)=Cc4ncccc4
InChi:InChI=1S/C25H20N4/c1-3-15-26-24(5-1)18-28-22-11-7-20(8-12-22)17-21-9-13-23(14-10-21)29-19-25-6-2-4-16-27-25/h1-16,18-19H,17H2/b28-18+,29-19+
別名:1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE
定義日:2005-11-30
最終更新日:2021-03-13
識別子（ID）:4,4'-methanediylbis{N-[(1E)-pyridin-2-ylmethylidene]aniline}
17K
17K
表記:(3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine
組成式:C22 H22 N2 O7 S
SMILES:O=C(O)C(Nc2c(cc1ccccn12)C=O)C(S(=O)O)(C)COC(=O)Cc3ccccc3
InChi:InChI=1S/C22H22N2O7S/c1-22(32(29)30,14-31-18(26)11-15-7-3-2-4-8-15)19(21(27)28)23-20-16(13-25)12-17-9-5-6-10-24(17)20/h2-10,12-13,19,23H,11,14H2,1H3,(H,27,28)(H,29,30)/t19-,22-/m0/s1
別名:penam sulfone SA1-204, open form
定義日:2012-10-26
最終更新日:2021-03-13
公開日:2013-07-31
識別子（ID）:(3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine
NUH
NUH
表記:5-(3-methoxyphenyl)-1-methyl-pyridin-2-one
組成式:C13 H13 N O2
SMILES:COc1cccc(c1)C2=CN(C)C(=O)C=C2
InChi:InChI=1S/C13H13NO2/c1-14-9-11(6-7-13(14)15)10-4-3-5-12(8-10)16-2/h3-9H,1-2H3
別名:5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
定義日:2019-12-16
最終更新日:2021-03-13
公開日:2020-01-15
識別子（ID）:5-(3-methoxyphenyl)-1-methyl-pyridin-2-one
O7K
O7K
表記:pyrazinoquinolinone
組成式:C25 H23 Cl F2 N4 O3
SMILES:CCC(=O)N1C[CH]2N(C[CH]1C)c3c(cnc4c(F)c(c(Cl)cc34)c5c(O)cccc5F)N(C)C2=O
InChi:InChI=1S/C25H23ClF2N4O3/c1-4-19(34)31-11-17-25(35)30(3)16-9-29-23-13(24(16)32(17)10-12(31)2)8-14(26)20(22(23)28)21-15(27)6-5-7-18(21)33/h5-9,12,17,33H,4,10-11H2,1-3H3/t12-,17-/m1/s1
別名:(2R,4aR)-3-acryloyl-11-chloro-9-fluoro-10-(2-fluoro-6-hydroxyphenyl)-2,6-dimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1',2':4,5]pyrazino[2,3-c]quinolin-5(6H)-one.
定義日:2020-02-18
最終更新日:2021-03-13
公開日:2020-02-26
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
A1O
A1O
表記:Quinabactin
組成式:C20 H24 N2 O3 S
SMILES:O=S(=O)(Nc1ccc2c(c1)CCC(=O)N2CCC)Cc3ccc(cc3)C
InChi:InChI=1S/C20H24N2O3S/c1-3-12-22-19-10-9-18(13-17(19)8-11-20(22)23)21-26(24,25)14-16-6-4-15(2)5-7-16/h4-7,9-10,13,21H,3,8,11-12,14H2,1-2H3
別名:1-(4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
定義日:2013-06-28
最終更新日:2021-03-13
公開日:2013-08-07
識別子（ID）:1-(4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
A48
A48
表記:4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL
組成式:C26 H29 B F3 N O
SMILES:FC(F)(F)CN(c1ccc(O)cc1)B(c2c(cc(cc2C)C)C)c3c(cc(cc3C)C)C
InChi:InChI=1S/C26H29BF3NO/c1-16-11-18(3)24(19(4)12-16)27(25-20(5)13-17(2)14-21(25)6)31(15-26(28,29)30)22-7-9-23(32)10-8-22/h7-14,32H,15H2,1-6H3
別名:(N-2,2,2-TRIFLUOROETHYL-P-HYDROXYLANILINO)DIMESITYLBORANE
定義日:2007-06-06
最終更新日:2021-03-13
識別子（ID）:4-{[bis(2,4,6-trimethylphenyl)boranyl](2,2,2-trifluoroethyl)amino}phenol
OQN
OQN
表記:6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
組成式:C18 H18 N6 O
SMILES:CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4cc2n1
InChi:InChI=1S/C18H18N6O/c1-20-18-21-13-9-12-14(22-17(19)24-16(12)25)11(15(13)23-18)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,20,21,23)(H3,19,22,24,25)
別名:6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
定義日:2020-03-30
最終更新日:2021-03-13
公開日:2020-04-08
識別子（ID）:6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
OQQ
OQQ
表記:6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
組成式:C19 H17 F3 N6 O
SMILES:CNc1[nH]c2cc3C(=O)N=C(N)Nc3c(CCc4ccc(cc4)C(F)(F)F)c2n1
InChi:InChI=1S/C19H17F3N6O/c1-24-18-25-13-8-12-14(26-17(23)28-16(12)29)11(15(13)27-18)7-4-9-2-5-10(6-3-9)19(20,21)22/h2-3,5-6,8H,4,7H2,1H3,(H2,24,25,27)(H3,23,26,28,29)
別名:6-azanyl-2-(methylamino)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,5-dihydroimidazo[4,5-g]quinazolin-8-one
定義日:2020-03-30
最終更新日:2021-03-13
公開日:2020-04-08
識別子（ID）:6-azanyl-2-(methylamino)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,5-dihydroimidazo[4,5-g]quinazolin-8-one
PC9
PC9
表記:(7R,14S)-14,15-DIBROMO-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE
組成式:C42 H83 Br2 N O8 P
SMILES:BrC(CCCCCCCCCCC)C(Br)CCCCC(=O)OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCCCCCCCC
InChi:InChI=1S/C42H82Br2NO8P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-32-41(46)50-36-38(37-52-54(48,49)51-35-34-45(3,4)5)53-42(47)33-29-28-31-40(44)39(43)30-26-24-22-20-15-13-11-9-7-2/h38-40H,6-37H2,1-5H3/p+1/t38-,39+,40+/m1/s1
別名:6,7-DIBROMO-PHOSPHATIDYLCHOLINE
定義日:2006-06-27
最終更新日:2021-03-13
識別子（ID）:(4S,7R,14S,15S)-14,15-dibromo-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
PCW
PCW
表記:1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
組成式:C44 H85 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCC=C/CCCCCCCC
InChi:InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1
別名:(Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE
定義日:2004-04-28
最終更新日:2021-03-13
識別子（ID）:(4S,7R,18Z)-4-hydroxy-N,N,N-trimethyl-7-[(9Z)-octadec-9-enoyloxy]-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
PN0
PN0
表記:Prinomastat
組成式:C18 H21 N3 O5 S2
SMILES:O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c3ccc(Oc2ccncc2)cc3
InChi:InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
別名:(3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide
定義日:2011-02-10
最終更新日:2021-03-13
識別子（ID）:(3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide

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件を2024-09-11に公開中

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