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SQC
SQC
表記:3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione
組成式:C20 H19 N3 O3
SMILES:O=C1C(NCc2ccccn2)=C(C1=O)c1ccc(cc1)N1CCOCC1
InChi:InChI=1S/C20H19N3O3/c24-19-17(18(20(19)25)22-13-15-3-1-2-8-21-15)14-4-6-16(7-5-14)23-9-11-26-12-10-23/h1-8,22H,9-13H2
定義日:2023-02-01
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:3-[4-(morpholin-4-yl)phenyl]-4-{[(pyridin-2-yl)methyl]amino}cyclobut-3-ene-1,2-dione
FIZ
FIZ
表記:2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one
組成式:C22 H25 Cl2 N5 O2
SMILES:C[CH]1OCC2(CCN(CC2)C3=Nn4ccc(c5cccc(Cl)c5Cl)c4C(=O)N3C)[CH]1N
InChi:InChI=1S/C22H25Cl2N5O2/c1-13-19(25)22(12-31-13)7-10-28(11-8-22)21-26-29-9-6-15(18(29)20(30)27(21)2)14-4-3-5-16(23)17(14)24/h3-6,9,13,19H,7-8,10-12,25H2,1-2H3/t13-,19-/m0/s1
定義日:2022-04-28
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:2-[(3~{S},4~{R})-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one
KLU
KLU
表記:(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
組成式:C11 H11 Cl N2 O3
SMILES:ClCC(=O)N1CC(Oc2ccccc21)C(N)=O
InChi:InChI=1S/C11H11ClN2O3/c12-5-10(15)14-6-9(11(13)16)17-8-4-2-1-3-7(8)14/h1-4,9H,5-6H2,(H2,13,16)/t9-/m0/s1
定義日:2022-02-04
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
KNX
KNX
表記:5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine
組成式:C27 H36 Cl2 N8 O5
SMILES:O=C(O)C(N)CCN(CCCCC1CNCc2c1ccc(Cl)c2Cl)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C27H36Cl2N8O5/c28-17-5-4-15-14(9-32-10-16(15)20(17)29)3-1-2-7-36(8-6-18(30)27(40)41)11-19-22(38)23(39)26(42-19)37-13-35-21-24(31)33-12-34-25(21)37/h4-5,12-14,18-19,22-23,26,32,38-39H,1-3,6-11,30H2,(H,40,41)(H2,31,33,34)/t14-,18-,19+,22+,23+,26+/m0/s1
定義日:2022-02-08
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine
KOC
KOC
表記:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide
組成式:C35 H40 F2 N5 O7 P S2
SMILES:O=P(O)(O)C(F)(F)c1cc2cc(sc2cc1)C(=O)NC(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)C)c1ccc(cc1)c1nccs1)C(C)(C)C
InChi:InChI=1S/C35H40F2N5O7PS2/c1-34(2,3)29(39-30(44)27-20-22-19-23(10-13-26(22)52-27)35(36,37)50(47,48)49)33(46)42-16-6-7-25(42)32(45)41(17-14-28(43)40(4)5)24-11-8-21(9-12-24)31-38-15-18-51-31/h8-13,15,18-20,25,29H,6-7,14,16-17H2,1-5H3,(H,39,44)(H2,47,48,49)/t25-,29+/m0/s1
別名:AK2305
定義日:2022-02-08
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide
KOO
KOO
表記:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide
組成式:C52 H54 F2 N7 O10 P S2
SMILES:O=P(O)(O)C(F)(F)c1cc2cc(sc2cc1)C(=O)NC(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)CCCC#Cc1cccc2C(=O)N(Cc21)C1CCC(=O)NC1=O)c1ccc(cc1)c1nccs1)C(C)(C)C
InChi:InChI=1S/C52H54F2N7O10PS2/c1-51(2,3)44(57-46(65)41-29-33-28-34(16-20-40(33)74-41)52(53,54)72(69,70)71)50(68)60-25-9-13-39(60)49(67)59(35-17-14-32(15-18-35)47-55-23-27-73-47)26-22-43(63)58(4)24-7-5-6-10-31-11-8-12-36-37(31)30-61(48(36)66)38-19-21-42(62)56-45(38)64/h8,11-12,14-18,20,23,27-29,38-39,44H,5,7,9,13,19,21-22,24-26,30H2,1-4H3,(H,57,65)(H,56,62,64)(H2,69,70,71)/t38-,39+,44-/m1/s1
別名:AK2292
定義日:2022-02-08
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide
KP9
KP9
表記:Bilin 618 (single linked)
組成式:C33 H36 N4 O6
SMILES:O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(C=C)=C2C)C(C)=C1/C=C/C(=O)O
InChi:InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,26,35H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,28-15-/t26-/m1/s1
別名:(1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE
定義日:2022-02-09
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(2E)-3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]prop-2-enoic acid
KPX
KPX
表記:Bilin 584 (single linked)
組成式:C33 H38 N4 O6
SMILES:O=C(O)CCC1=C(C)C(/C=C2NC(=O)C(C)C2CC)=N/C1=Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1/C=C/C(=O)O
InChi:InChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8-9,11,14-15,19-20,26,34H,2,7,10,12-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1
別名:(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
定義日:2022-02-09
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
KQ6
KQ6
表記:Bilin 584 (doubly linked)
組成式:C33 H40 N4 O6
SMILES:O=C(O)CCC1=C(C)C(/C=C2NC(=O)C(C)C2CC)=N/C1=Cc1[NH]c(CC2NC(=O)C(CC)=C2C)c(C)c1/C=C/C(=O)O
InChi:InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h9,11,14-15,19-20,26,34H,7-8,10,12-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1
別名:(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
定義日:2022-02-09
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
KL9
KL9
表記:7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide
組成式:C23 H27 N5 O S
SMILES:Cc1nc2sc(c(N)c2nc1)C(=O)NCCc1ccc(cc1)C1CC2CCC(N2)C1
InChi:InChI=1S/C23H27N5OS/c1-13-12-26-20-19(24)21(30-23(20)27-13)22(29)25-9-8-14-2-4-15(5-3-14)16-10-17-6-7-18(11-16)28-17/h2-5,12,16-18,28H,6-11,24H2,1H3,(H,25,29)/t16-,17-,18+
定義日:2022-02-04
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide
MIW
MIW
表記:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide
組成式:C33 H38 F2 N5 O7 P S2
SMILES:CN(C)C(=O)CCN(c1ccc2scnc2c1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C
InChi:InChI=1S/C33H38F2N5O7PS2/c1-32(2,3)28(37-29(42)26-16-19-15-20(8-10-24(19)50-26)33(34,35)48(45,46)47)31(44)40-13-6-7-23(40)30(43)39(14-12-27(41)38(4)5)21-9-11-25-22(17-21)36-18-49-25/h8-11,15-18,23,28H,6-7,12-14H2,1-5H3,(H,37,42)(H2,45,46,47)/t23-,28+/m0/s1
定義日:2022-03-16
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide
MJ6
MJ6
表記:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide
組成式:C32 H38 Br F2 N4 O7 P S
SMILES:CN(C)C(=O)CCN(c1ccc(Br)cc1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C
InChi:InChI=1S/C32H38BrF2N4O7PS/c1-31(2,3)27(36-28(41)25-18-19-17-20(8-13-24(19)48-25)32(34,35)47(44,45)46)30(43)39-15-6-7-23(39)29(42)38(16-14-26(40)37(4)5)22-11-9-21(33)10-12-22/h8-13,17-18,23,27H,6-7,14-16H2,1-5H3,(H,36,41)(H2,44,45,46)/t23-,27+/m0/s1
定義日:2022-03-16
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide
AX9
AX9
表記:DiCys-(15,16)-Dihydrobiliverdin
組成式:C33 H40 N4 O6
SMILES:O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1/C=C1N=C(CC2NC(=O)C(CC)=C2C)C(C)=C1CCC(=O)O
InChi:InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h14-15,26,35H,7-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,28-15-/t26-/m1/s1
別名:15,16-DIHYDROBILIVERDIN (double Cys bound form)
定義日:2021-11-11
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid
5P0
5P0
表記:(3Z,6S)-3-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione
組成式:C12 H20 N2 O5
SMILES:C[CH](CCO)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO
InChi:InChI=1S/C12H20N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h5,7,9,15-16,19H,3-4,6H2,1-2H3,(H,13,18)(H,14,17)/b8-5-/t7-,9-,12+/m0/s1
定義日:2021-08-23
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(3~{Z},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione
5UQ
5UQ
表記:(3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione
組成式:C12 H22 N2 O5
SMILES:C[CH](CCO)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O
InChi:InChI=1S/C12H22N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h7-9,15-16,19H,3-6H2,1-2H3,(H,13,18)(H,14,17)/t7-,8-,9-,12+/m0/s1
定義日:2021-08-24
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(3~{S},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione
5WI
5WI
表記:(3S,6Z)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione
組成式:C12 H20 N2 O4
SMILES:CC[CH](C)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO
InChi:InChI=1S/C12H20N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h5,7,9,15,18H,4,6H2,1-3H3,(H,13,17)(H,14,16)/b8-5-/t7-,9-,12+/m0/s1
定義日:2021-08-24
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(3~{S},6~{Z})-3-[(2~{S})-butan-2-yl]-6-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione
HWO
HWO
表記:(2R)-7-[(2R,3R,4R,5S,6S)-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one
組成式:C28 H34 O15
SMILES:COc1ccc(cc1O)[CH]2CC(=O)c3c(O)cc(O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O[CH]5O[CH](C)[CH](O)[CH](O)[CH]5O)cc3O2
InChi:InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17+,19-,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
定義日:2021-02-20
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(2~{R})-7-[(2~{R},3~{R},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-3-[(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one
HWR
HWR
表記:(2S,3R,4R,5R,6R)-2-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-2-[[(2R,4R)-2-(4-hydroxyphenyl)-4,5-bis(oxidanyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol
組成式:C27 H34 O14
SMILES:C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2Oc3cc(O)c4[CH](O)C[CH](Oc4c3)c5ccc(O)cc5)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C27H34O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,15-16,18,20-36H,8-9H2,1H3/t10-,15-,16-,18+,20+,21+,22-,23+,24-,25-,26+,27-/m1/s1
定義日:2021-02-20
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(2~{S},3~{R},4~{R},5~{R},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{S})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-2-(4-hydroxyphenyl)-4,5-bis(oxidanyl)-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol
5NF
5NF
表記:(3S,4S,5S,8S)-8-[(2S)-butan-2-yl]-3-methyl-3,4-bis(oxidanyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
組成式:C12 H20 N2 O5
SMILES:CC[CH](C)[CH]1NC(=O)[C]2(NC1=O)OC[C](C)(O)[CH]2O
InChi:InChI=1S/C12H20N2O5/c1-4-6(2)7-8(15)14-12(10(17)13-7)9(16)11(3,18)5-19-12/h6-7,9,16,18H,4-5H2,1-3H3,(H,13,17)(H,14,15)/t6-,7-,9-,11-,12-/m0/s1
定義日:2021-08-23
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(3~{S},4~{S},5~{S},8~{S})-8-[(2~{S})-butan-2-yl]-3-methyl-3,4-bis(oxidanyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
MQX
MQX
表記:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide
組成式:C34 H39 F2 N4 O8 P S
SMILES:CN(C)C(=O)CCN(c1cc2ccoc2cc1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C
InChi:InChI=1S/C34H39F2N4O8PS/c1-33(2,3)29(37-30(42)27-19-21-17-22(8-11-26(21)50-27)34(35,36)49(45,46)47)32(44)40-14-6-7-24(40)31(43)39(15-12-28(41)38(4)5)23-9-10-25-20(18-23)13-16-48-25/h8-11,13,16-19,24,29H,6-7,12,14-15H2,1-5H3,(H,37,42)(H2,45,46,47)/t24-,29+/m0/s1
定義日:2022-03-17
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1-benzofuran-5-yl)-N,N-dimethyl-beta-alaninamide
NQF
NQF
表記:(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
組成式:C23 H24 N4 O3
SMILES:NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2ccccc2c1C
InChi:InChI=1S/C23H24N4O3/c1-14-17-5-3-4-6-19(17)30-20(14)13-27(2)21(28)10-7-15-11-16-8-9-18(24)23(29)26-22(16)25-12-15/h3-7,10-12,18H,8-9,13,24H2,1-2H3,(H,25,26,29)/b10-7+/t18-/m1/s1
定義日:2022-04-07
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
76N
76N
表記:3-[[(1~{S},2~{R},4~{a}~{S},8~{a}~{S})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-[(1~{S},2~{R},5~{S},6~{S})-2,5-bis(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-4-oxidanyl-1~{H}-pyridin-2-one
組成式:C23 H29 N O6
SMILES:C[CH]1C=C[CH]2CCCC[CH]2[CH]1C(=O)C3=C(O)C(=CNC3=O)[C]4(O)CC[CH](O)[CH]5O[CH]45
InChi:InChI=1S/C23H29NO6/c1-11-6-7-12-4-2-3-5-13(12)16(11)19(27)17-18(26)14(10-24-22(17)28)23(29)9-8-15(25)20-21(23)30-20/h6-7,10-13,15-16,20-21,25,29H,2-5,8-9H2,1H3,(H2,24,26,28)/t11-,12+,13+,15+,16+,20+,21+,23-/m1/s1
定義日:2022-02-18
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:3-[[(1~{S},2~{R},4~{a}~{S},8~{a}~{S})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-[(1~{S},2~{R},5~{S},6~{S})-2,5-bis(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-4-oxidanyl-1~{H}-pyridin-2-one
2I4
2I4
表記:3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid
組成式:C36 H56 O6
SMILES:O=C(O)C(C)(C)CC(=O)OC1CCC2(C)C3CCC4C5C(CCC5(CCC4(C)C3(C)CCC2C1(C)C)C(=O)O)C(=C)C
InChi:InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
別名:Bevirimat
定義日:2021-06-28
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid
OIH
OIH
表記:1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid
組成式:C28 H32 Cl F N4 O3
SMILES:CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O)=O
InChi:InChI=1S/C28H32ClFN4O3/c1-18(2)17-34(20-7-4-3-5-8-20)25-13-11-21(33-14-6-9-26(33)27(35)36)16-24(25)32-28(37)31-23-12-10-19(29)15-22(23)30/h6,9-16,18,20H,3-5,7-8,17H2,1-2H3,(H,35,36)(H2,31,32,37)
定義日:2023-02-02
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid
7QX
7QX
表記:(3S,6S)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dion
組成式:C12 H22 N2 O4
SMILES:CC[CH](C)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O
InChi:InChI=1S/C12H22N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h7-9,15,18H,4-6H2,1-3H3,(H,13,17)(H,14,16)/t7-,8-,9-,12+/m0/s1
定義日:2021-10-14
最終更新日:2023-02-10
公開日:2023-02-15
識別子（ID）:(3~{S},6~{S})-3-[(2~{S})-butan-2-yl]-6-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]piperazine-2,5-dione

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件を2024-07-10に公開中

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