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N94
N94
表記:4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide
組成式:C19 H18 Cl F N6 O3 S
SMILES:c3(ccc(Cl)c(NC(=O)c1cccc2c1ncnc2N)c3F)NS(=O)(=O)N4CCCC4
InChi:InChI=1S/C19H18ClFN6O3S/c20-13-6-7-14(26-31(29,30)27-8-1-2-9-27)15(21)17(13)25-19(28)12-5-3-4-11-16(12)23-10-24-18(11)22/h3-7,10,26H,1-2,8-9H2,(H,25,28)(H2,22,23,24)
定義日:2019-05-08
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide
N97
N97
表記:4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide
組成式:C25 H22 Cl F3 N6 O3 S2
SMILES:c1(cc(ccc1F)F)S(Nc2c(c(c(cc2)Cl)NC(=O)c3csc4c3ncnc4NC5CCC(CC5)N)F)(=O)=O
InChi:InChI=1S/C25H22ClF3N6O3S2/c26-16-6-8-18(35-40(37,38)19-9-12(27)1-7-17(19)28)20(29)22(16)34-25(36)15-10-39-23-21(15)31-11-32-24(23)33-14-4-2-13(30)3-5-14/h1,6-11,13-14,35H,2-5,30H2,(H,34,36)(H,31,32,33)/t13-,14-
定義日:2019-05-08
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide
YO1
YO1
表記:4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide
組成式:C24 H20 N10 O4 S4
SMILES:O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cc(/N=N/c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(N)cc2N)cc1
InChi:InChI=1S/C24H20N10O4S4/c25-19-13-20(26)22(32-30-16-3-7-18(8-4-16)42(37,38)34-24-28-10-12-40-24)14-21(19)31-29-15-1-5-17(6-2-15)41(35,36)33-23-27-9-11-39-23/h1-14H,25-26H2,(H,27,33)(H,28,34)/b31-29+,32-30+
別名:NSC86314
定義日:2021-03-15
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:4,4'-{(4,6-diamino-1,3-phenylene)bis[(E)-diazene-2,1-diyl]}bis[N-(1,3-thiazol-2-yl)benzene-1-sulfonamide]
LQ4
LQ4
表記:piperlongumine
組成式:C17 H19 N O5
SMILES:C2C=CC(N(C([C@H]=[C@H]c1cc(OC)c(c(c1)OC)OC)=O)C2)=O
InChi:InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
別名:1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one
定義日:2019-03-08
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one
RTQ
RTQ
表記:(2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone
組成式:C35 H45 N3 O8
SMILES:COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)CNC(=O)COc4cccc2c4)C5CCCCC5)cc1OC
InChi:InChI=1S/C35H45N3O8/c1-43-29-17-15-23(19-30(29)44-2)14-16-28-25-11-8-12-26(20-25)45-22-32(40)36-21-31(39)37-33(24-9-4-3-5-10-24)34(41)38-18-7-6-13-27(38)35(42)46-28/h8,11-12,15,17,19-20,24,27-28,33H,3-7,9-10,13-14,16,18,21-22H2,1-2H3,(H,36,40)(H,37,39)/t27-,28+,33+/m0/s1
別名:(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
定義日:2020-10-20
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
RTT
RTT
表記:(2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone
組成式:C37 H47 N3 O8
SMILES:COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)C4(CC4)NC(=O)COc5cccc2c5)C6CCCCC6)cc1OC
InChi:InChI=1S/C37H47N3O8/c1-45-30-17-15-24(21-31(30)46-2)14-16-29-26-11-8-12-27(22-26)47-23-32(41)39-37(18-19-37)36(44)38-33(25-9-4-3-5-10-25)34(42)40-20-7-6-13-28(40)35(43)48-29/h8,11-12,15,17,21-22,25,28-29,33H,3-7,9-10,13-14,16,18-20,23H2,1-2H3,(H,38,44)(H,39,41)/t28-,29+,33+/m0/s1
別名:(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]spiro[3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-15,1'-cyclopropane]-4,11,14,17-tetrone
定義日:2020-10-20
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]spiro[3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-15,1'-cyclopropane]-4,11,14,17-tetrone
YBG
YBG
表記:1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol
組成式:C43 H81 O13 P
SMILES:CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC
InChi:InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17+/t35-,38-,39+,40-,41+,42+,43-/m0/s1
定義日:2021-02-16
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:[(2~{S})-1-hexadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (~{E})-octadec-9-enoate
S8N
S8N
表記:(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
組成式:C38 H51 N3 O8
SMILES:COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)C(C)(C)N(C)C(=O)COc4cccc2c4)C5CCCCC5)cc1OC
InChi:InChI=1S/C38H51N3O8/c1-38(2)37(45)39-34(26-12-7-6-8-13-26)35(43)41-21-10-9-16-29(41)36(44)49-30(19-17-25-18-20-31(46-4)32(22-25)47-5)27-14-11-15-28(23-27)48-24-33(42)40(38)3/h11,14-15,18,20,22-23,26,29-30,34H,6-10,12-13,16-17,19,21,24H2,1-5H3,(H,39,45)/t29-,30+,34+/m0/s1
定義日:2020-11-11
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:(2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
WB7
WB7
表記:1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide
組成式:C27 H29 Cl N2 O4 S2
SMILES:O=C(NCc1ccc(S(=O)(=O)C)cc1)c4sc5C2(CCN(CC2)Cc3ccccc3Cl)OCCc5c4
InChi:InChI=1S/C27H29ClN2O4S2/c1-36(32,33)22-8-6-19(7-9-22)17-29-26(31)24-16-20-10-15-34-27(25(20)35-24)11-13-30(14-12-27)18-21-4-2-3-5-23(21)28/h2-9,16H,10-15,17-18H2,1H3,(H,29,31)
定義日:2020-10-07
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide
WBG
WBG
表記:3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one
組成式:C30 H27 N5 O2
SMILES:c1cnc(cc1)NC5=C(C(n3c(c(c(c2ccccc2)n3)C4=CCCCC4)N5)=O)c6ccc(cc6)OC
InChi:InChI=1S/C30H27N5O2/c1-37-23-17-15-21(16-18-23)26-28(32-24-14-8-9-19-31-24)33-29-25(20-10-4-2-5-11-20)27(34-35(29)30(26)36)22-12-6-3-7-13-22/h3,6-10,12-19,33H,2,4-5,11H2,1H3,(H,31,32)
定義日:2020-10-07
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:3-(cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[(pyridin-2-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one
WBM
WBM
表記:2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one
組成式:C21 H16 N6 O
SMILES:c1cnnc1NC5=CC(n3c(c(c(c2ccccc2)n3)c4ccccc4)N5)=O
InChi:InChI=1S/C21H16N6O/c28-18-13-17(23-16-11-12-22-25-16)24-21-19(14-7-3-1-4-8-14)20(26-27(18)21)15-9-5-2-6-10-15/h1-13,24H,(H2,22,23,25)
定義日:2020-10-09
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one
WBS
WBS
表記:6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one
組成式:C27 H20 N6 O2
SMILES:c6c(C=5C(n2c(c(c(c1ccccc1)n2)c3ccccc3)NC=5Nc4nncc4)=O)ccc(c6)O
InChi:InChI=1S/C27H20N6O2/c34-20-13-11-18(12-14-20)23-25(29-21-15-16-28-31-21)30-26-22(17-7-3-1-4-8-17)24(32-33(26)27(23)35)19-9-5-2-6-10-19/h1-16,30,34H,(H2,28,29,31)
定義日:2020-10-09
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:6-(4-hydroxyphenyl)-2,3-diphenyl-5-[(1H-pyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidin-7(4H)-one
V2V
V2V
表記:CDP-ribitol
組成式:C14 H25 N3 O15 P2
SMILES:C1=CN(C(N=C1N)=O)C2C(C(C(COP(=O)(O)OP(=O)(O)OCC(C(C(CO)O)O)O)O2)O)O
InChi:InChI=1S/C14H25N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H2,15,16,24)/t6-,7+,8+,10-,11+,12+,13+/m0/s1
別名:[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate
定義日:2020-06-19
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4,5-tetrahydroxypentyl dihydrogen diphosphate (non-preferred name)
PWE
PWE
表記:(2R)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2S,3S,4S,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate
組成式:C29 H56 O16 P2
SMILES:C1(C(C(OP(O)(O)=O)C(O)C(C1O)O)O)OP(O)(=O)OCC(COC(CCC)=O)OC(CCCCCCCCCCCCCCC)=O
InChi:InChI=1S/C29H56O16P2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-23(31)43-21(19-41-22(30)17-4-2)20-42-47(39,40)45-29-26(34)24(32)25(33)28(27(29)35)44-46(36,37)38/h21,24-29,32-35H,3-20H2,1-2H3,(H,39,40)(H2,36,37,38)/t21-,24+,25+,26+,27-,28+,29+/m1/s1
定義日:2020-04-09
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:(2R)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2S,3S,4S,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate
WFM
WFM
表記:(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol
組成式:C22 H21 Br N6 O4
SMILES:n6c5c(ccc(OC2C1OC(C(O)C1(CC2)O)n4c3ncnc(c3cc4)N)c5)cc(c6N)Br
InChi:InChI=1S/C22H21BrN6O4/c23-13-7-10-1-2-11(8-14(10)28-19(13)25)32-15-3-5-22(31)16(30)21(33-17(15)22)29-6-4-12-18(24)26-9-27-20(12)29/h1-2,4,6-9,15-17,21,30-31H,3,5H2,(H2,25,28)(H2,24,26,27)/t15-,16-,17+,21+,22-/m0/s1
定義日:2020-10-26
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:(2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol
TNW
TNW
表記:7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
組成式:C17 H16 Cl N3 O
SMILES:CN(C)C1=NC(=O)N(c2cccc(C)c2)c3cc(Cl)ccc13
InChi:InChI=1S/C17H16ClN3O/c1-11-5-4-6-13(9-11)21-15-10-12(18)7-8-14(15)16(20(2)3)19-17(21)22/h4-10H,1-3H3
定義日:2021-01-12
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
TO5
TO5
表記:7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one
組成式:C15 H13 Cl N4 O
SMILES:CN(C)C1=NC(=O)N(c2cccnc2)c3cc(Cl)ccc13
InChi:InChI=1S/C15H13ClN4O/c1-19(2)14-12-6-5-10(16)8-13(12)20(15(21)18-14)11-4-3-7-17-9-11/h3-9H,1-2H3
定義日:2021-01-12
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one
TO8
TO8
表記:7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one
組成式:C10 H10 Cl N3 O
SMILES:CN(C)C1=NC(=O)Nc2cc(Cl)ccc12
InChi:InChI=1S/C10H10ClN3O/c1-14(2)9-7-4-3-6(11)5-8(7)12-10(15)13-9/h3-5H,1-2H3,(H,12,13,15)
定義日:2021-01-12
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one
TOW
TOW
表記:7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
組成式:C12 H14 Cl N3 O2
SMILES:CN(C)C1=NC(=O)N(CCO)c2cc(Cl)ccc12
InChi:InChI=1S/C12H14ClN3O2/c1-15(2)11-9-4-3-8(13)7-10(9)16(5-6-17)12(18)14-11/h3-4,7,17H,5-6H2,1-2H3
定義日:2021-01-12
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
U4P
U4P
表記:5'-deoxyuridine
組成式:C9 H12 N2 O5
SMILES:O=C1NC(=O)C=CN1C2C(C(C(O2)C)O)O
InChi:InChI=1S/C9H12N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-4,6-8,13-14H,1H3,(H,10,12,15)/t4-,6-,7-,8-/m1/s1
定義日:2020-04-16
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:5'-deoxyuridine
TQB
TQB
表記:7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one
組成式:C16 H14 Cl N3 O
SMILES:CN(C)C1=NC(=O)N(c2ccccc2)c3cc(Cl)ccc13
InChi:InChI=1S/C16H14ClN3O/c1-19(2)15-13-9-8-11(17)10-14(13)20(16(21)18-15)12-6-4-3-5-7-12/h3-10H,1-2H3
定義日:2021-01-12
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one
TQE
TQE
表記:4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one
組成式:C7 H12 N4 O2
SMILES:CCOC1=NC(=NC(=O)N1)N(C)C
InChi:InChI=1S/C7H12N4O2/c1-4-13-7-9-5(11(2)3)8-6(12)10-7/h4H2,1-3H3,(H,8,9,10,12)
定義日:2021-01-12
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one
U7S
U7S
表記:2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1H)-one
組成式:C20 H21 Br F N3 O S
SMILES:c3(c(Br)c(c(CNCCCNC=1Nc2c(C(C=1)=O)cccc2)s3)C)C(=C)F
InChi:InChI=1S/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26)
定義日:2020-04-30
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1H)-one
U81
U81
表記:5-[(3-{[(4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6H)-one
組成式:C19 H19 Br2 N3 O2 S
SMILES:c1(Br)cc(Br)cc2c1OCCC2NCCCNC3=CC(c4c(N3)ccs4)=O
InChi:InChI=1S/C19H19Br2N3O2S/c20-11-8-12-14(2-6-26-18(12)13(21)9-11)22-4-1-5-23-17-10-16(25)19-15(24-17)3-7-27-19/h3,7-10,14,22H,1-2,4-6H2,(H2,23,24,25)/t14-/m1/s1
定義日:2020-04-30
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:5-[(3-{[(4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(4H)-one
OZE
OZE
表記:(((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-L-leucinate
組成式:C24 H32 N3 O7 P
SMILES:CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O
InChi:InChI=1S/C24H32N3O7P/c1-17(2)13-20(23(29)30)26-21(28)15-25-35(32,33)22(14-18-9-5-3-6-10-18)27-24(31)34-16-19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3,(H,26,28)(H,27,31)(H,29,30)(H2,25,32,33)/t20-,22+/m0/s1
別名:(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]p entanoic acid
定義日:2020-04-09
最終更新日:2021-04-16
公開日:2021-04-21
識別子（ID）:(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid

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件を2025-10-29に公開中

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