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97U
97U
表記:(2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid
組成式:C20 H18 Cl N O6
SMILES:C[CH]1Cc2c(Cl)cc(c(O)c2C(=O)O1)C(=O)N[CH](Cc3ccccc3)C(O)=O
InChi:InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1
定義日:2022-01-11
最終更新日:2022-01-14
公開日:2022-01-19
識別子（ID）:(2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid
9IG
9IG
表記:3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine
組成式:C18 H22 Cl N O
SMILES:Clc1ccccc1CCCNC(C)c1cccc(OC)c1
InChi:InChI=1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1
定義日:2021-10-15
最終更新日:2022-01-14
公開日:2022-01-19
識別子（ID）:3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine
2IR
2IR
表記:N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
組成式:C32 H37 F3 N6 O
SMILES:CN(C)CCN1CCC(C1)n1cnc(c2ccc(cc2)C(F)(F)F)c1c1ccnc(Oc2cc(ccc2C)C(C)C)n1
InChi:InChI=1S/C32H37F3N6O/c1-21(2)24-7-6-22(3)28(18-24)42-31-36-14-12-27(38-31)30-29(23-8-10-25(11-9-23)32(33,34)35)37-20-41(30)26-13-15-40(19-26)17-16-39(4)5/h6-12,14,18,20-21,26H,13,15-17,19H2,1-5H3/t26-/m1/s1
定義日:2021-06-29
最終更新日:2022-01-14
公開日:2022-01-19
識別子（ID）:N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
XR4
XR4
表記:N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide)
組成式:C68 H88 Cl2 F2 N14 O13 S2
SMILES:c6(C(NC5CCN(C(=O)CCOCCOCCOCCOCCOCCC(N1CCC(CC1)NC(=O)c2c(cc(cc2)Nc3ncc(c(n3)Nc4cc(c(cc4)Cl)NS(C(C)(C)C)(=O)=O)C)F)=O)CC5)=O)ccc(cc6F)Nc7nc(c(C)cn7)Nc8ccc(c(c8)NS(C(C)(C)C)(=O)=O)Cl
InChi:InChI=1S/C68H88Cl2F2N14O13S2/c1-43-41-73-65(81-61(43)75-49-11-15-53(69)57(39-49)83-100(91,92)67(3,4)5)79-47-9-13-51(55(71)37-47)63(89)77-45-17-23-85(24-18-45)59(87)21-27-95-29-31-97-33-35-99-36-34-98-32-30-96-28-22-60(88)86-25-19-46(20-26-86)78-64(90)52-14-10-48(38-56(52)72)80-66-74-42-44(2)62(82-66)76-50-12-16-54(70)58(40-50)84-101(93,94)68(6,7)8/h9-16,37-42,45-46,83-84H,17-36H2,1-8H3,(H,77,89)(H,78,90)(H2,73,75,79,81)(H2,74,76,80,82)
定義日:2021-01-07
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide)
WCD
WCD
表記:(2R,3R,5R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
組成式:C18 H29 N3 O7 S
SMILES:C(O)C(C)(C)C(O)C(NCCC(NCCSC1C(N2C(CC2C1)=O)C(O)=O)=O)=O
InChi:InChI=1S/C18H29N3O7S/c1-18(2,9-22)15(25)16(26)20-4-3-12(23)19-5-6-29-11-7-10-8-13(24)21(10)14(11)17(27)28/h10-11,14-15,22,25H,3-9H2,1-2H3,(H,19,23)(H,20,26)(H,27,28)/t10-,11+,14-,15-/m0/s1
別名:(2R)-pantetheinylated carbapenam
定義日:2020-10-12
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:(2R,3R,5R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
VX8
VX8
表記:Lumacaftor
組成式:C24 H18 F2 N2 O5
SMILES:O=C(O)c1cccc(c1)c1nc(ccc1C)NC(=O)C1(CC1)c1ccc2OC(F)(F)Oc2c1
InChi:InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
別名:3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid
定義日:2021-11-20
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid
YD7
YD7
表記:~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
組成式:C26 H33 N7 O2
SMILES:CC(C)OC1CN(C1)C(=O)N[CH]2CCCCc3cc(ccc23)c4ccnc(Nc5cnn(C)c5)n4
InChi:InChI=1S/C26H33N7O2/c1-17(2)35-21-15-33(16-21)26(34)31-24-7-5-4-6-18-12-19(8-9-22(18)24)23-10-11-27-25(30-23)29-20-13-28-32(3)14-20/h8-14,17,21,24H,4-7,15-16H2,1-3H3,(H,31,34)(H,27,29,30)/t24-/m1/s1
定義日:2021-02-22
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
T82
T82
表記:(S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium
組成式:C16 H15 Br Cl N3 O2
SMILES:NC[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2cccc(Cl)c2
InChi:InChI=1S/C16H15BrClN3O2/c17-14-6-10(4-5-15(14)22)9-20-21-16(23)13(8-19)11-2-1-3-12(18)7-11/h1-7,9,13,22H,8,19H2,(H,21,23)/b20-9+/t13-/m1/s1
別名:(2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide
定義日:2020-12-17
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:(2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide
TE8
TE8
表記:(2~{R})-2-(4-phenylphenoxy)propanoic acid
組成式:C15 H14 O3
SMILES:C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O
InChi:InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m1/s1
定義日:2020-12-21
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:(2~{R})-2-(4-phenylphenoxy)propanoic acid
BWI
BWI
表記:1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile
組成式:C21 H22 N6 O
SMILES:N#CC1(CC1)c1cccc2cnc(nc12)Nc1cnn(C2CCOCC2)c1C
InChi:InChI=1S/C21H22N6O/c1-14-18(12-24-27(14)16-5-9-28-10-6-16)25-20-23-11-15-3-2-4-17(19(15)26-20)21(13-22)7-8-21/h2-4,11-12,16H,5-10H2,1H3,(H,23,25,26)
定義日:2021-11-18
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile
BXI
BXI
表記:1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol
組成式:C23 H28 Cl2 N6 O2
SMILES:CC(C)(O)Cn1ncc(Nc2nc3cc(C4CCN(CC4)C4COC4)c(Cl)cc3cn2)c1Cl
InChi:InChI=1S/C23H28Cl2N6O2/c1-23(2,32)13-31-21(25)20(10-27-31)29-22-26-9-15-7-18(24)17(8-19(15)28-22)14-3-5-30(6-4-14)16-11-33-12-16/h7-10,14,16,32H,3-6,11-13H2,1-2H3,(H,26,28,29)
定義日:2021-11-18
最終更新日:2022-01-07
公開日:2022-01-12
識別子（ID）:1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol
YCS
YCS
表記:(2~{R})-2-(4-bromanylphenoxy)propanamide
組成式:C9 H10 Br N O2
SMILES:C[CH](Oc1ccc(Br)cc1)C(N)=O
InChi:InChI=1S/C9H10BrNO2/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H2,11,12)/t6-/m1/s1
定義日:2021-02-22
最終更新日:2021-12-31
公開日:2022-01-05
識別子（ID）:(2~{R})-2-(4-bromanylphenoxy)propanamide
2WI
2WI
表記:6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide
組成式:C19 H19 F N4 O
SMILES:CN(C)C(=O)c1c(N)ccc(c2cnc3N=CC4(CC4)c3c2C)c1F
InChi:InChI=1S/C19H19FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8-9H,6-7,21H2,1-3H3
定義日:2021-06-30
最終更新日:2021-12-31
公開日:2022-01-05
識別子（ID）:6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide
EIJ
EIJ
表記:(2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
組成式:C47 H83 O13 P
SMILES:OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
InChi:InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22+,30-28+/t39-,42-,43-,44+,45-,46+,47-/m0/s1
定義日:2021-12-06
最終更新日:2021-12-24
公開日:2021-12-29
識別子（ID）:(2S)-1-{[(S)-hydroxy{[(1s,2R,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
7V5
7V5
表記:~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine
組成式:C20 H24 N4
SMILES:C[NH+](C)CCCNc1c2[nH]c3ccccc3c2[nH+]c4ccccc14
InChi:InChI=1S/C20H22N4/c1-24(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)23-20(18)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,21,22)/p+2
定義日:2021-09-07
最終更新日:2021-12-24
公開日:2021-12-29
識別子（ID）:3-(10~{H}-indolo[3,2-b]quinolin-5-ium-11-ylamino)propyl-dimethyl-azanium
87E
87E
表記:(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid
組成式:C23 H36 N4 O21 P2
SMILES:C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(=O)N[CH](CO)C(O)=O
InChi:InChI=1S/C23H36N4O21P2/c1-8(19(35)25-10(5-28)21(36)37)44-18-14(24-9(2)30)22(46-11(6-29)16(18)33)47-50(41,42)48-49(39,40)43-7-12-15(32)17(34)20(45-12)27-4-3-13(31)26-23(27)38/h3-4,8,10-12,14-18,20,22,28-29,32-34H,5-7H2,1-2H3,(H,24,30)(H,25,35)(H,36,37)(H,39,40)(H,41,42)(H,26,31,38)/t8-,10+,11-,12-,14-,15-,16-,17-,18-,20-,22-/m1/s1
別名:Uridine-5'-diphosphate-n-acetylmuramoyl-L-Serine
定義日:2021-11-26
最終更新日:2021-12-24
公開日:2021-12-29
識別子（ID）:(2~{S})-2-[[(2~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoyl]amino]-3-oxidanyl-propanoic acid
XQ4
XQ4
表記:(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name)
組成式:C36 H51 Cl N4 O10
SMILES:N1(C(CC(C4(C(C(C3CC(C(OC)C=CC=C(C)Cc2cc(OC)c(Cl)c1c2)(NC(=O)O3)O)C)O4)C)OC(=O)C(C)N(C)C(CCNC)=O)=O)C
InChi:InChI=1S/C36H51ClN4O10/c1-20-11-10-12-27(48-9)36(46)19-26(49-34(45)39-36)21(2)32-35(4,51-32)28(50-33(44)22(3)40(6)29(42)13-14-38-5)18-30(43)41(7)24-16-23(15-20)17-25(47-8)31(24)37/h10-12,16-17,21-22,26-28,32,38,46H,13-15,18-19H2,1-9H3,(H,39,45)/b12-10+,20-11+/t21-,22+,26+,27-,28+,32+,35+,36+/m1/s1
定義日:2020-12-30
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methylamino)propanoyl]amino}propanoate (non-preferred name)
T3B
T3B
表記:2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
組成式:C30 H31 N5 O5 S2
SMILES:CC(C)C(=O)Nc1sc(cn1)C(=O)NCCN(Cc2ccccc2)C(=O)c3ccc(cc3)[S](=O)(=O)Nc4ccccc4
InChi:InChI=1S/C30H31N5O5S2/c1-21(2)27(36)33-30-32-19-26(41-30)28(37)31-17-18-35(20-22-9-5-3-6-10-22)29(38)23-13-15-25(16-14-23)42(39,40)34-24-11-7-4-8-12-24/h3-16,19,21,34H,17-18,20H2,1-2H3,(H,31,37)(H,32,33,36)
定義日:2020-12-14
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
FEY
FEY
表記:(1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C30 H44 N4 O9 S
SMILES:O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2ccccc2)C1)C(O)S(=O)(=O)O
InChi:InChI=1S/C30H44N4O9S/c1-19(2)14-23(27(37)32-24(28(38)44(40,41)42)16-21-8-11-31-26(21)36)33-29(39)43-22-17-30(18-22)9-12-34(13-10-30)25(35)15-20-6-4-3-5-7-20/h3-7,19,21-24,28,38H,8-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,39)(H,40,41,42)/t21-,23-,24-,28+/m0/s1
定義日:2021-12-15
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
FHS
FHS
表記:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
組成式:C30 H44 N4 O9 S
SMILES:O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2ccccc2)C1)C(O)S(=O)(=O)O
InChi:InChI=1S/C30H44N4O9S/c1-19(2)14-23(27(37)32-24(28(38)44(40,41)42)16-21-8-11-31-26(21)36)33-29(39)43-22-17-30(18-22)9-12-34(13-10-30)25(35)15-20-6-4-3-5-7-20/h3-7,19,21-24,28,38H,8-18H2,1-2H3,(H,31,36)(H,32,37)(H,33,39)(H,40,41,42)/t21-,23-,24-,28-/m0/s1
定義日:2021-12-15
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
FIK
FIK
表記:(1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C24 H40 N4 O9 S
SMILES:O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1
InChi:InChI=1S/C24H40N4O9S/c1-13(2)7-17(20(30)26-18(22(32)38(34,35)36)8-15-5-6-25-19(15)29)27-23(33)37-16-9-24(10-16)11-28(12-24)21(31)14(3)4/h13-18,22,32H,5-12H2,1-4H3,(H,25,29)(H,26,30)(H,27,33)(H,34,35,36)/t15-,17-,18-,22-/m0/s1
定義日:2021-12-15
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:(1S,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
FIW
FIW
表記:(1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C24 H40 N4 O9 S
SMILES:O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1
InChi:InChI=1S/C24H40N4O9S/c1-13(2)7-17(20(30)26-18(22(32)38(34,35)36)8-15-5-6-25-19(15)29)27-23(33)37-16-9-24(10-16)11-28(12-24)21(31)14(3)4/h13-18,22,32H,5-12H2,1-4H3,(H,25,29)(H,26,30)(H,27,33)(H,34,35,36)/t15-,17-,18-,22+/m0/s1
定義日:2021-12-15
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:(1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
FN2
FN2
表記:(1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C28 H40 N4 O9 S
SMILES:O=C(Cc1ccccc1)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1
InChi:InChI=1S/C28H40N4O9S/c1-17(2)10-21(25(35)30-22(26(36)42(38,39)40)12-19-8-9-29-24(19)34)31-27(37)41-20-13-28(14-20)15-32(16-28)23(33)11-18-6-4-3-5-7-18/h3-7,17,19-22,26,36H,8-16H2,1-2H3,(H,29,34)(H,30,35)(H,31,37)(H,38,39,40)/t19-,21-,22-,26-/m0/s1
定義日:2021-12-15
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[2-(phenylacetyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
FP8
FP8
表記:(1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C28 H40 N4 O9 S
SMILES:O=C(Cc1ccccc1)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1
InChi:InChI=1S/C28H40N4O9S/c1-17(2)10-21(25(35)30-22(26(36)42(38,39)40)12-19-8-9-29-24(19)34)31-27(37)41-20-13-28(14-20)15-32(16-28)23(33)11-18-6-4-3-5-7-18/h3-7,17,19-22,26,36H,8-16H2,1-2H3,(H,29,34)(H,30,35)(H,31,37)(H,38,39,40)/t19-,21-,22-,26+/m0/s1
定義日:2021-12-15
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[2-(phenylacetyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
FV5
FV5
表記:(1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
組成式:C23 H40 N4 O10 S2
SMILES:O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)S(C)(=O)=O)C1)C(O)S(=O)(=O)O
InChi:InChI=1S/C23H40N4O10S2/c1-14(2)10-17(20(29)25-18(21(30)39(34,35)36)11-15-4-7-24-19(15)28)26-22(31)37-16-12-23(13-16)5-8-27(9-6-23)38(3,32)33/h14-18,21,30H,4-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)(H,34,35,36)/t15-,17-,18-,21+/m0/s1
定義日:2021-12-15
最終更新日:2021-12-17
公開日:2021-12-22
識別子（ID）:(1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

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件を2024-07-10に公開中

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