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A1H1V
A1H1V
表記:3-O-sulfo-alpha-L-idopyranuronic acid
組成式:C6 H10 O10 S
SMILES:O[CH]1O[CH]([CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(O)=O
InChi:InChI=1S/C6H10O10S/c7-1-3(16-17(12,13)14)2(8)6(11)15-4(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4+,6+/m0/s1
別名:O3-SULFO-GLUCURONIC ACID
定義日:2024-01-09
最終更新日:2024-07-12
公開日:2024-07-17
識別子（ID）:(2~{R},3~{R},4~{S},5~{R},6~{R})-3,5,6-tris(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid
XTE
XTE
表記:E-CFCP-triphosphate
組成式:C13 H16 F N6 O12 P3
SMILES:NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[C](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)(C#N)C3=CF
InChi:InChI=1S/C13H16FN6O12P3/c14-2-6-7(20-5-17-9-10(20)18-12(16)19-11(9)22)1-8(21)13(6,3-15)4-30-34(26,27)32-35(28,29)31-33(23,24)25/h2,5,7-8,21H,1,4H2,(H,26,27)(H,28,29)(H2,23,24,25)(H3,16,18,19,22)/b6-2-/t7-,8-,13-/m0/s1
別名:[[(1~{S},2~{E},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-1-cyano-2-(fluoranylmethylidene)-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
定義日:2023-11-10
最終更新日:2024-07-12
公開日:2024-07-17
識別子（ID）:[[(1~{S},2~{E},3~{S},5~{S})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-1-cyano-2-(fluoranylmethylidene)-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
ZQT
ZQT
表記:9H-xanthene-1,3,6,8-tetrol
組成式:C13 H10 O5
SMILES:Oc1cc(O)cc2Oc3cc(O)cc(O)c3Cc21
InChi:InChI=1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2
定義日:2023-07-03
最終更新日:2024-07-12
公開日:2024-07-17
識別子（ID）:9H-xanthene-1,3,6,8-tetrol
VIM
VIM
表記:2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid
組成式:C13 H8 Cl F O3
SMILES:OC(=O)c1c(Cl)cccc1Oc2ccc(F)cc2
InChi:InChI=1S/C13H8ClFO3/c14-10-2-1-3-11(12(10)13(16)17)18-9-6-4-8(15)5-7-9/h1-7H,(H,16,17)
定義日:2023-07-25
最終更新日:2024-07-12
公開日:2024-07-17
識別子（ID）:2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid
WUO
WUO
表記:acyl-phosphatidyl-myo-inositol dimannoside (AcPIM2)
組成式:C72 H135 O24 P
SMILES:CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCC[CH](C)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C72H135O24P/c1-5-8-11-14-17-19-21-23-25-27-29-35-41-46-57(75)89-51-55-60(78)62(80)67(85)72(93-55)95-69-65(83)63(81)64(82)68(94-71-66(84)61(79)59(77)54(48-73)92-71)70(69)96-97(86,87)90-50-53(91-58(76)47-42-37-30-28-26-24-22-20-18-15-12-9-6-2)49-88-56(74)45-40-36-32-31-34-39-44-52(4)43-38-33-16-13-10-7-3/h52-55,59-73,77-85H,5-51H2,1-4H3,(H,86,87)/t52-,53-,54-,55-,59-,60-,61+,62+,63+,64+,65-,66+,67+,68-,69-,70+,71-,72-/m1/s1
別名:[(2R)-2-[(10E,13E)-hexadeca-10,13-dienoyl]oxy-3-[[(1S,2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propyl] (10R)-10-methyloctadecanoate
定義日:2023-05-18
最終更新日:2024-07-12
公開日:2024-07-17
識別子（ID）:[(2~{R})-2-hexadecanoyloxy-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propyl] (10~{R})-10-methyloctadecanoate
A1APU
A1APU
表記:Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide
組成式:C36 H35 N3 O4 S
SMILES:CNC(=O)C(Cc1ccc(C)c(OC)c1)NC(=O)CSc1ccc2ccccc2c1c1cncc(OCc2ccccc2)c1
InChi:InChI=1S/C36H35N3O4S/c1-24-13-14-26(18-32(24)42-3)17-31(36(41)37-2)39-34(40)23-44-33-16-15-27-11-7-8-12-30(27)35(33)28-19-29(21-38-20-28)43-22-25-9-5-4-6-10-25/h4-16,18-21,31H,17,22-23H2,1-3H3,(H,37,41)(H,39,40)/t31-/m0/s1
定義日:2024-04-26
最終更新日:2024-07-12
公開日:2024-07-17
識別子（ID）:Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide
A1APV
A1APV
表記:Naloxone
組成式:C19 H21 N O4
SMILES:O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c54
InChi:InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
別名:3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one
定義日:2024-04-26
最終更新日:2024-07-12
公開日:2024-07-17
識別子（ID）:3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one
FH6
FH6
表記:(2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal
組成式:C8 H14 N2 O2 S
SMILES:C[CH]1NC(=O)C[CH]1SC[CH](N)C=O
InChi:InChI=1S/C8H14N2O2S/c1-5-7(2-8(12)10-5)13-4-6(9)3-11/h3,5-7H,2,4,9H2,1H3,(H,10,12)/t5-,6+,7+/m0/s1
定義日:2023-07-19
最終更新日:2024-07-10
公開日:2024-05-08
識別子（ID）:(2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal
YRK
YRK
表記:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-methoxy-6-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid
組成式:C24 H26 N4 O6
SMILES:COc1cc(cnc1O)c2c([nH]c3c(cccc23)[CH](C)N4C[C]5(C[CH](CN)C5)OC4=O)C(O)=O
InChi:InChI=1S/C24H26N4O6/c1-12(28-11-24(34-23(28)32)7-13(8-24)9-25)15-4-3-5-16-18(20(22(30)31)27-19(15)16)14-6-17(33-2)21(29)26-10-14/h3-6,10,12-13,27H,7-9,11,25H2,1-2H3,(H,26,29)(H,30,31)/t12-,13-,24-/m0/s1
定義日:2023-06-20
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-methoxy-6-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid
ZW0
ZW0
表記:6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
組成式:C23 H31 N5 O7 S
SMILES:OC(=O)c1cccc(CN2CCN(CCC[S](O)(=O)=O)CCN(CC2)Cc3cccc(n3)C(O)=O)n1
InChi:InChI=1S/C23H31N5O7S/c29-22(30)20-6-1-4-18(24-20)16-27-11-9-26(8-3-15-36(33,34)35)10-12-28(14-13-27)17-19-5-2-7-21(25-19)23(31)32/h1-2,4-7H,3,8-17H2,(H,29,30)(H,31,32)(H,33,34,35)
定義日:2023-07-05
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
YRT
YRT
表記:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(oxetan-3-ylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid
組成式:C27 H29 F N4 O7 S
SMILES:C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](=O)(=O)C6COC6)c(F)c5
InChi:InChI=1S/C27H29FN4O7S/c1-14(32-13-27(39-26(32)35)8-15(9-27)10-29)18-3-2-4-19-22(24(25(33)34)30-23(18)19)16-5-6-21(20(28)7-16)31-40(36,37)17-11-38-12-17/h2-7,14-15,17,30-31H,8-13,29H2,1H3,(H,33,34)/t14-,15-,27-/m0/s1
定義日:2023-06-20
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(oxetan-3-ylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid
YRX
YRX
表記:7-[(1~{S})-1-[5-[(3-azanyl-3-methyl-azetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
組成式:C27 H31 F N4 O6 S
SMILES:C[CH](N1C[CH](CN2CC(C)(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5
InChi:InChI=1S/C27H31FN4O6S/c1-15(32-11-18(38-26(32)35)10-31-13-27(2,29)14-31)19-5-4-6-20-22(24(25(33)34)30-23(19)20)16-7-8-17(21(28)9-16)12-39(3,36)37/h4-9,15,18,30H,10-14,29H2,1-3H3,(H,33,34)/t15-,18-/m0/s1
定義日:2023-06-20
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[5-[(3-azanyl-3-methyl-azetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
YSB
YSB
表記:7-[(1~{S})-1-[5-[2-(1-azanylcyclopropyl)ethyl]-2-oxidanylidene-1,3-oxazol-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
組成式:C27 H28 F N3 O6 S
SMILES:C[CH](N1C=C(CCC2(N)CC2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5
InChi:InChI=1S/C27H28FN3O6S/c1-15(31-13-18(37-26(31)34)8-9-27(29)10-11-27)19-4-3-5-20-22(24(25(32)33)30-23(19)20)16-6-7-17(21(28)12-16)14-38(2,35)36/h3-7,12-13,15,30H,8-11,14,29H2,1-2H3,(H,32,33)/t15-/m0/s1
定義日:2023-06-20
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[5-[2-(1-azanylcyclopropyl)ethyl]-2-oxidanylidene-1,3-oxazol-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
YSK
YSK
表記:3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid
組成式:C22 H20 F N3 O5 S
SMILES:C[CH](c1noc(C)n1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4
InChi:InChI=1S/C22H20FN3O5S/c1-11(21-24-12(2)31-26-21)15-5-4-6-16-18(20(22(27)28)25-19(15)16)13-7-8-14(17(23)9-13)10-32(3,29)30/h4-9,11,25H,10H2,1-3H3,(H,27,28)/t11-/m0/s1
定義日:2023-06-20
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid
YSR
YSR
表記:7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid
組成式:C26 H28 N6 O6 S
SMILES:C[CH](N1C[CH](CN2CC(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](C)(=O)=O)c(c5)C#N
InChi:InChI=1S/C26H28N6O6S/c1-14(32-13-18(38-26(32)35)12-31-10-17(28)11-31)19-4-3-5-20-22(24(25(33)34)29-23(19)20)15-6-7-21(16(8-15)9-27)30-39(2,36)37/h3-8,14,17-18,29-30H,10-13,28H2,1-2H3,(H,33,34)/t14-,18?/m0/s1
定義日:2023-06-20
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid
YSX
YSX
表記:7-[(1~{S})-1-[3-(3-azanylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
組成式:C25 H27 F N4 O6 S
SMILES:C[CH](N1C(=O)CN(CCCN)C1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4
InChi:InChI=1S/C25H27FN4O6S/c1-14(30-20(31)12-29(25(30)34)10-4-9-27)17-5-3-6-18-21(23(24(32)33)28-22(17)18)15-7-8-16(19(26)11-15)13-37(2,35)36/h3,5-8,11,14,28H,4,9-10,12-13,27H2,1-2H3,(H,32,33)/t14-/m0/s1
定義日:2023-06-20
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[3-(3-azanylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
YTO
YTO
表記:3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{R})-1-(1~{H}-1,2,3-triazol-5-ylmethoxy)ethyl]-1~{H}-indole-2-carboxylic acid
組成式:C22 H21 F N4 O5 S
SMILES:C[CH](OCc1[nH]nnc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4
InChi:InChI=1S/C22H21FN4O5S/c1-12(32-10-15-9-24-27-26-15)16-4-3-5-17-19(21(22(28)29)25-20(16)17)13-6-7-14(18(23)8-13)11-33(2,30)31/h3-9,12,25H,10-11H2,1-2H3,(H,28,29)(H,24,26,27)/t12-/m1/s1
定義日:2023-06-21
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{R})-1-(1~{H}-1,2,3-triazol-5-ylmethoxy)ethyl]-1~{H}-indole-2-carboxylic acid
ZHT
ZHT
表記:6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
組成式:C25 H36 N6 O4
SMILES:CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(O)=O)Cc3cccc(n3)C(O)=O
InChi:InChI=1S/C25H36N6O4/c1-28(2)10-5-11-29-12-14-30(18-20-6-3-8-22(26-20)24(32)33)16-17-31(15-13-29)19-21-7-4-9-23(27-21)25(34)35/h3-4,6-9H,5,10-19H2,1-2H3,(H,32,33)(H,34,35)
定義日:2023-06-23
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
YU0
YU0
表記:3-[4-[(azanyl-methyl-oxidanyl-$l^{4}-sulfanyl)methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid
組成式:C20 H23 F N2 O3 S
SMILES:CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S](C)(N)O)c(F)c3
InChi:InChI=1S/C20H23FN2O3S/c1-11(2)14-5-4-6-15-17(19(20(24)25)23-18(14)15)12-7-8-13(16(21)9-12)10-27(3,22)26/h4-9,11,23,26H,10,22H2,1-3H3,(H,24,25)
定義日:2023-06-21
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:3-[4-[(azanyl-methyl-oxidanyl-$l^{4}-sulfanyl)methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid
YU3
YU3
表記:3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(2-oxidanylidene-1~{H}-pyridin-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid
組成式:C24 H21 F N2 O5 S
SMILES:C[CH](C1=CC=CNC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4
InChi:InChI=1S/C24H21FN2O5S/c1-13(17-7-4-10-26-23(17)28)16-5-3-6-18-20(22(24(29)30)27-21(16)18)14-8-9-15(19(25)11-14)12-33(2,31)32/h3-11,13,27H,12H2,1-2H3,(H,26,28)(H,29,30)/t13-/m0/s1
定義日:2023-06-21
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-7-[(1~{S})-1-(2-oxidanylidene-1~{H}-pyridin-3-yl)ethyl]-1~{H}-indole-2-carboxylic acid
YU8
YU8
表記:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
組成式:C26 H28 F N3 O6 S
SMILES:C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5
InChi:InChI=1S/C26H28FN3O6S/c1-14(30-13-26(36-25(30)33)9-15(10-26)11-28)18-4-3-5-19-21(23(24(31)32)29-22(18)19)16-6-7-17(20(27)8-16)12-37(2,34)35/h3-8,14-15,29H,9-13,28H2,1-2H3,(H,31,32)/t14-,15-,26+/m0/s1
定義日:2023-06-21
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
YUC
YUC
表記:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid
組成式:C26 H27 N5 O6 S
SMILES:C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](C)(=O)=O)c(c5)C#N
InChi:InChI=1S/C26H27N5O6S/c1-14(31-13-26(37-25(31)34)9-15(10-26)11-27)18-4-3-5-19-21(23(24(32)33)29-22(18)19)16-6-7-20(17(8-16)12-28)30-38(2,35)36/h3-8,14-15,29-30H,9-11,13,27H2,1-2H3,(H,32,33)/t14-,15-,26-/m0/s1
定義日:2023-06-21
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-cyano-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid
YUH
YUH
表記:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid
組成式:C23 H24 N4 O5
SMILES:C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4C5=CNC(=O)C=C5
InChi:InChI=1S/C23H24N4O5/c1-12(27-11-23(32-22(27)31)7-13(8-23)9-24)15-3-2-4-16-18(14-5-6-17(28)25-10-14)20(21(29)30)26-19(15)16/h2-6,10,12-13,26H,7-9,11,24H2,1H3,(H,25,28)(H,29,30)/t12-,13-,23-/m0/s1
定義日:2023-06-21
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid
YUQ
YUQ
表記:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid
組成式:C25 H27 F N4 O6 S
SMILES:C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(N[S](C)(=O)=O)c(F)c5
InChi:InChI=1S/C25H27FN4O6S/c1-13(30-12-25(36-24(30)33)9-14(10-25)11-27)16-4-3-5-17-20(22(23(31)32)28-21(16)17)15-6-7-19(18(26)8-15)29-37(2,34)35/h3-8,13-14,28-29H,9-12,27H2,1-2H3,(H,31,32)/t13-,14-,25-/m0/s1
定義日:2023-06-21
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid
YUU
YUU
表記:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[1-(2-azanylethyl)pyrazol-4-yl]-1~{H}-indole-2-carboxylic acid
組成式:C23 H28 N6 O4
SMILES:C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5cnn(CCN)c5
InChi:InChI=1S/C23H28N6O4/c1-13(29-12-23(33-22(29)32)7-14(8-23)9-25)16-3-2-4-17-18(20(21(30)31)27-19(16)17)15-10-26-28(11-15)6-5-24/h2-4,10-11,13-14,27H,5-9,12,24-25H2,1H3,(H,30,31)/t13-,14-,23-/m0/s1
定義日:2023-06-21
最終更新日:2024-07-05
公開日:2024-07-10
識別子（ID）:7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[1-(2-azanylethyl)pyrazol-4-yl]-1~{H}-indole-2-carboxylic acid

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件を2025-10-29に公開中

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