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4OR
4OR
表記:(S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
組成式:C24 H29 Cl F N5 O
SMILES:C(C)N3c1ccc(cc1N=C(c2c3ccc(c2)Cl)NC4CN(CC4)C(=O)NC(C)(C)C)F
InChi:InChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1
定義日:2015-04-29
最終更新日:2015-06-19
公開日:2015-06-24
識別子（ID）:(3S)-N-tert-butyl-3-[(2-chloro-5-ethyl-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-yl)amino]pyrrolidine-1-carboxamide
WCP
WCP
表記:(4R)-3-fluoro-4-hydroxy-4-{[(1r,4R)-4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one
組成式:C26 H26 F N5 O5
SMILES:O=C5C=Cc7ncc(c6C(O)(CC21OCC(CC1)(CC2)NCc4nc3NC(=O)COc3cc4)CN5c67)F
InChi:InChI=1S/C26H26FN5O5/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-37-25)29-9-15-1-3-18-23(30-15)31-19(33)11-36-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24-,25-,26-/m0/s1
定義日:2015-06-02
最終更新日:2015-06-12
公開日:2015-06-17
識別子（ID）:(4R)-3-fluoro-4-hydroxy-4-{[(1r,4R)-4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}-2-oxabicyclo[2.2.2]oct-1-yl]methyl}-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one
FZZ
FZZ
表記:1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol
組成式:C22 H29 N4 O9 P
SMILES:O=C1NC(=O)N=C4C1N=C2CC(c3c2c(cc(c3C)C)N4CC(C(C(O)COP(O)(O)=O)O)O)(C)C
InChi:InChI=1S/C22H29N4O9P/c1-9-5-12-15-11(6-22(3,4)16(15)10(9)2)23-17-19(24-21(31)25-20(17)30)26(12)7-13(27)18(29)14(28)8-35-36(32,33)34/h5,13-14,18,27-29H,6-8H2,1-4H3,(H2,32,33,34)(H2,24,25,30,31)/t13-,14+,18-/m0/s1
定義日:2015-04-14
最終更新日:2015-06-12
公開日:2015-06-17
識別子（ID）:1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol
JAD
JAD
表記:2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile
組成式:C15 H16 Cl N3 O2
SMILES:N#Cc3ccc(C2=NN1CCC(O)C1C2OC)c(c3Cl)C
InChi:InChI=1S/C15H16ClN3O2/c1-8-10(4-3-9(7-17)12(8)16)13-15(21-2)14-11(20)5-6-19(14)18-13/h3-4,11,14-15,20H,5-6H2,1-2H3/t11-,14-,15+/m0/s1
定義日:2014-07-04
最終更新日:2015-06-12
公開日:2015-06-17
識別子（ID）:2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile
N1B
N1B
表記:(S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
組成式:C16 H14 B9 N O4
SMILES:COC(=O)Cc1c(C)n(C(=O)[C+]234[B-]56[B+]78[B-]9%10[C]2%11[B]9%12%13[B]7%10%14[B]58%15[B]36%16[B]%12%14%15[B]4%11%13%16)c%17ccc(OC)cc1%17
InChi:InChI=1S/C16H14B9NO4/c1-8-10(7-13(27)30-3)11-6-9(29-2)4-5-12(11)26(8)14(28)16-15-17-19-18(16)22(16)20(15,16)21(15,17)23(17,19)24(18,19,22)25(20,21,22)23/h4-6H,7H2,1-3H3
定義日:2015-04-08
最終更新日:2015-06-05
公開日:2015-06-10
4LA
4LA
表記:(R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate
組成式:C16 H14 B9 N O4
SMILES:COC(=O)Cc1c(C)n(C(=O)[C+]234[B-]56[B-]78[B+]9%10[C]2%11[B]9%12%13[B]7%10%14[B]58%15[B]36%16[B]%12%14%15[B]4%11%13%16)c%17ccc(OC)cc1%17
InChi:InChI=1S/C16H14B9NO4/c1-8-10(7-13(27)30-3)11-6-9(29-2)4-5-12(11)26(8)14(28)16-15-17-19-18(16)22(16)20(15,16)21(15,17)23(17,19)24(18,19,22)25(20,21,22)23/h4-6H,7H2,1-3H3
定義日:2015-04-08
最終更新日:2015-06-05
公開日:2015-06-10
3X7
3X7
表記:3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
組成式:C23 H21 N5
SMILES:N#Cc5ncc2c(c1cc(cnc1n2)c3ccc(cc3)CN4CCCCC4)c5
InChi:InChI=1S/C23H21N5/c24-12-19-11-20-21-10-18(13-26-23(21)27-22(20)14-25-19)17-6-4-16(5-7-17)15-28-8-2-1-3-9-28/h4-7,10-11,13-14H,1-3,8-9,15H2,(H,26,27)
定義日:2014-12-03
最終更新日:2015-05-29
公開日:2015-06-03
識別子（ID）:3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
3XK
3XK
表記:N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
組成式:C19 H13 N5 O
SMILES:O=C(Nc4cccc(c2cc3c1c(cnc(C#N)c1)nc3nc2)c4)C
InChi:InChI=1S/C19H13N5O/c1-11(25)23-14-4-2-3-12(5-14)13-6-17-16-7-15(8-20)21-10-18(16)24-19(17)22-9-13/h2-7,9-10H,1H3,(H,22,24)(H,23,25)
定義日:2014-12-05
最終更新日:2015-05-29
公開日:2015-06-03
識別子（ID）:N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
3XL
3XL
表記:3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
組成式:C17 H10 N4 O
SMILES:N#Cc4ncc2c(c1cc(cnc1n2)c3ccccc3O)c4
InChi:InChI=1S/C17H10N4O/c18-7-11-6-13-14-5-10(12-3-1-2-4-16(12)22)8-20-17(14)21-15(13)9-19-11/h1-6,8-9,22H,(H,20,21)
定義日:2014-12-05
最終更新日:2015-05-29
公開日:2015-06-03
識別子（ID）:3-(2-hydroxyphenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
4EJ
4EJ
表記:4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
組成式:C20 H15 N5
SMILES:c1(ccc(cc1)c3n2nc(ccc2nc3)NCc4ccccc4)C#N
InChi:InChI=1S/C20H15N5/c21-12-15-6-8-17(9-7-15)18-14-23-20-11-10-19(24-25(18)20)22-13-16-4-2-1-3-5-16/h1-11,14H,13H2,(H,22,24)
定義日:2015-03-09
最終更新日:2015-05-29
公開日:2015-06-03
識別子（ID）:4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
4EK
4EK
表記:6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine
組成式:C21 H18 F N5
SMILES:c1(cccc(c1)C5CCCN5c4nn3c(ncc3c2ncccc2)cc4)F
InChi:InChI=1S/C21H18FN5/c22-16-6-3-5-15(13-16)18-8-4-12-26(18)21-10-9-20-24-14-19(27(20)25-21)17-7-1-2-11-23-17/h1-3,5-7,9-11,13-14,18H,4,8,12H2/t18-/m1/s1
定義日:2015-03-10
最終更新日:2015-05-29
公開日:2015-06-03
識別子（ID）:6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine
4F6
4F6
表記:4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile
組成式:C23 H18 F N5 O
SMILES:c5(cc(C4N(c3ccc1n(c(cn1)c2ccc(cc2)C#N)n3)CCOC4)ccc5)F
InChi:InChI=1S/C23H18FN5O/c24-19-3-1-2-18(12-19)21-15-30-11-10-28(21)23-9-8-22-26-14-20(29(22)27-23)17-6-4-16(13-25)5-7-17/h1-9,12,14,21H,10-11,15H2/t21-/m0/s1
定義日:2015-03-16
最終更新日:2015-05-29
公開日:2015-06-03
識別子（ID）:4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile
3C9
3C9
表記:1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
組成式:C16 H24 N6 O3 S
SMILES:O=S(=O)(N3CCCC(NC(=O)Nc1nc2c(nc1)ncc2)C3)CC(C)C
InChi:InChI=1S/C16H24N6O3S/c1-11(2)10-26(24,25)22-7-3-4-12(9-22)19-16(23)21-14-8-18-15-13(20-14)5-6-17-15/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,17,18)(H2,19,20,21,23)/t12-/m0/s1
定義日:2014-07-26
最終更新日:2015-05-22
公開日:2015-05-27
識別子（ID）:1-{(3S)-1-[(2-methylpropyl)sulfonyl]piperidin-3-yl}-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
4L5
4L5
表記:2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
組成式:C17 H19 N5 O2
SMILES:c1(ccc(C(N)=O)c(c1)OC)c3n2c(ccc(n2)NC(C)C)nc3
InChi:InChI=1S/C17H19N5O2/c1-10(2)20-15-6-7-16-19-9-13(22(16)21-15)11-4-5-12(17(18)23)14(8-11)24-3/h4-10H,1-3H3,(H2,18,23)(H,20,21)
定義日:2015-04-07
最終更新日:2015-05-22
公開日:2015-05-27
識別子（ID）:2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
2UL
2UL
表記:3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid
組成式:C17 H19 B N2 O5
SMILES:O=C(O)c1cccc(c1)CC(B(O)O)NC(=O)C(N)c2ccccc2
InChi:InChI=1S/C17H19BN2O5/c19-15(12-6-2-1-3-7-12)16(21)20-14(18(24)25)10-11-5-4-8-13(9-11)17(22)23/h1-9,14-15,24-25H,10,19H2,(H,20,21)(H,22,23)/t14-,15+/m0/s1
定義日:2014-02-10
最終更新日:2015-05-15
公開日:2015-05-20
識別子（ID）:3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid
3K7
3K7
表記:6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
組成式:C15 H15 Cl N4 O2
SMILES:Clc1nn2c(c(nc2c(c1)N)C)c3ccc(OC)c(OC)c3
InChi:InChI=1S/C15H15ClN4O2/c1-8-14(9-4-5-11(21-2)12(6-9)22-3)20-15(18-8)10(17)7-13(16)19-20/h4-7H,17H2,1-3H3
定義日:2014-09-01
最終更新日:2015-05-15
公開日:2015-05-20
識別子（ID）:6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine
4LN
4LN
表記:N-[(2R)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4H-1,2,4-triazol-4-yl)benzamide
組成式:C22 H22 N6 O2
SMILES:O=C(NC2(Cc1c3n(nc1CC2)c(ccc3O)C)C)c5ccc(n4cnnc4)cc5
InChi:InChI=1S/C22H22N6O2/c1-14-3-8-19(29)20-17-11-22(2,10-9-18(17)26-28(14)20)25-21(30)15-4-6-16(7-5-15)27-12-23-24-13-27/h3-8,12-13,29H,9-11H2,1-2H3,(H,25,30)/t22-/m1/s1
定義日:2015-04-10
最終更新日:2015-05-15
公開日:2015-05-20
識別子（ID）:N-[(2R)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4H-1,2,4-triazol-4-yl)benzamide
WMR
WMR
表記:5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine
組成式:C15 H22 N4 S
SMILES:CCCCc1nc2[nH]nc(N)c2c3CC(C)(C)SCc13
InChi:InChI=1S/C15H22N4S/c1-4-5-6-11-10-8-20-15(2,3)7-9(10)12-13(16)18-19-14(12)17-11/h4-8H2,1-3H3,(H3,16,17,18,19)
定義日:2015-03-08
最終更新日:2015-05-08
公開日:2015-05-13
5DQ
5DQ
表記:N-CYCLOPENTYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE-7-SULFONAMIDE
組成式:C18 H17 F3 N4 O2 S
SMILES:FC(F)(F)c1ccc(cc1)c2[nH]c3c(nccc3[S](=O)(=O)NC4CCCC4)n2
InChi:InChI=1S/C18H17F3N4O2S/c19-18(20,21)12-7-5-11(6-8-12)16-23-15-14(9-10-22-17(15)24-16)28(26,27)25-13-3-1-2-4-13/h5-10,13,25H,1-4H2,(H,22,23,24)
定義日:2015-03-08
最終更新日:2015-05-08
公開日:2015-05-13
識別子（ID）:N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-sulfonamide
ZLP
ZLP
表記:(3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
組成式:C32 H44 N4 O10 S
SMILES:O=S(=O)(c2cc1OC(=N/C)Nc1cc2)N(CC(C)C)CC(O)C(NC(=O)OC3C4C(OCCOC)COC4OC3)Cc5ccccc5
InChi:InChI=1S/C32H44N4O10S/c1-20(2)16-36(47(39,40)22-10-11-23-26(15-22)45-31(33-3)34-23)17-25(37)24(14-21-8-6-5-7-9-21)35-32(38)46-28-19-44-30-29(28)27(18-43-30)42-13-12-41-4/h5-11,15,20,24-25,27-30,37H,12-14,16-19H2,1-4H3,(H,33,34)(H,35,38)/t24-,25+,27-,28-,29-,30+/m0/s1
定義日:2015-02-05
最終更新日:2015-05-01
公開日:2015-05-06
識別子（ID）:(3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
VXL
VXL
表記:(3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
組成式:C31 H43 N3 O10 S
SMILES:O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2C3C(OCC(=O)NC)COC3OC2)Cc4ccccc4
InChi:InChI=1S/C31H43N3O10S/c1-20(2)15-34(45(38,39)23-12-10-22(40-4)11-13-23)16-25(35)24(14-21-8-6-5-7-9-21)33-31(37)44-27-18-43-30-29(27)26(17-42-30)41-19-28(36)32-3/h5-13,20,24-27,29-30,35H,14-19H2,1-4H3,(H,32,36)(H,33,37)/t24-,25+,26-,27-,29-,30+/m0/s1
定義日:2015-02-05
最終更新日:2015-05-01
公開日:2015-05-06
識別子（ID）:(3R,3aS,4R,6aR)-4-[2-(methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
QHA
QHA
表記:(3R,3aS,4R,6aR)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
組成式:C32 H41 F N4 O9 S
SMILES:O=S(=O)(c2cc1oc(nc1cc2)NC)N(CC(C)C)CC(O)C(NC(=O)OC3C4C(OCC(F)=C)COC4OC3)Cc5ccccc5
InChi:InChI=1S/C32H41FN4O9S/c1-19(2)14-37(47(40,41)22-10-11-23-26(13-22)45-31(34-4)35-23)15-25(38)24(12-21-8-6-5-7-9-21)36-32(39)46-28-18-44-30-29(28)27(17-43-30)42-16-20(3)33/h5-11,13,19,24-25,27-30,38H,3,12,14-18H2,1-2,4H3,(H,34,35)(H,36,39)/t24-,25+,27-,28-,29-,30+/m0/s1
定義日:2015-02-04
最終更新日:2015-05-01
公開日:2015-05-06
識別子（ID）:(3R,3aS,4R,6aR)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
C7L
C7L
表記:(3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
組成式:C30 H43 N3 O9 S
SMILES:O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2C3C(OCCOC)COC3OC2)Cc4ccccc4
InChi:InChI=1S/C30H43N3O9S/c1-20(2)16-33(43(36,37)23-11-9-22(31)10-12-23)17-25(34)24(15-21-7-5-4-6-8-21)32-30(35)42-27-19-41-29-28(27)26(18-40-29)39-14-13-38-3/h4-12,20,24-29,34H,13-19,31H2,1-3H3,(H,32,35)/t24-,25+,26-,27-,28-,29+/m0/s1
定義日:2015-02-05
最終更新日:2015-05-01
公開日:2015-05-06
識別子（ID）:(3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
C7U
C7U
表記:(3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
組成式:C29 H37 Cl N4 O8 S
SMILES:O=S(=O)(c2cc1oc(nc1cc2)NC)N(CC(C)C)CC(O)C(NC(=O)OC3C4C(Cl)COC4OC3)Cc5ccccc5
InChi:InChI=1S/C29H37ClN4O8S/c1-17(2)13-34(43(37,38)19-9-10-21-24(12-19)41-28(31-3)32-21)14-23(35)22(11-18-7-5-4-6-8-18)33-29(36)42-25-16-40-27-26(25)20(30)15-39-27/h4-10,12,17,20,22-23,25-27,35H,11,13-16H2,1-3H3,(H,31,32)(H,33,36)/t20-,22-,23+,25-,26-,27+/m0/s1
定義日:2015-02-05
最終更新日:2015-05-01
公開日:2015-05-06
識別子（ID）:(3R,3aS,4R,6aS)-4-chlorohexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
C7W
C7W
表記:(3R,3aS,4R,6aR)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
組成式:C32 H41 F3 N4 O9 S
SMILES:O=S(=O)(c2cc1oc(nc1cc2)NC)N(CC(C)C)CC(O)C(NC(=O)OC3C4C(OCCC(F)(F)F)COC4OC3)Cc5ccccc5
InChi:InChI=1S/C32H41F3N4O9S/c1-19(2)15-39(49(42,43)21-9-10-22-25(14-21)47-30(36-3)37-22)16-24(40)23(13-20-7-5-4-6-8-20)38-31(41)48-27-18-46-29-28(27)26(17-45-29)44-12-11-32(33,34)35/h4-10,14,19,23-24,26-29,40H,11-13,15-18H2,1-3H3,(H,36,37)(H,38,41)/t23-,24+,26-,27-,28-,29+/m0/s1
定義日:2015-02-05
最終更新日:2015-05-01
公開日:2015-05-06
識別子（ID）:(3R,3aS,4R,6aR)-4-(3,3,3-trifluoropropoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate

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件を2024-08-07に公開中

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