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IA4
IA4
表記:~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine
組成式:C20 H30 N2
SMILES:CN(CCC1CCCCCC1)CCc2c[nH]c3ccccc23
InChi:InChI=1S/C20H30N2/c1-22(14-12-17-8-4-2-3-5-9-17)15-13-18-16-21-20-11-7-6-10-19(18)20/h6-7,10-11,16-17,21H,2-5,8-9,12-15H2,1H3
定義日:2021-01-25
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine
IRK
IRK
表記:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
組成式:C21 H37 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20+/m0/s1
定義日:2022-01-27
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
IUB
IUB
表記:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
組成式:C21 H37 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14-,15-,16-,17-,20-/m0/s1
定義日:2022-01-28
最終更新日:2022-02-25
公開日:2022-03-02
識別子（ID）:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
LPG
LPG
表記:(2S)-2-aminobut-3-ynoic acid
組成式:C4 H5 N O2
SMILES:C#CC(N)C(=O)O
InChi:InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h1,3H,5H2,(H,6,7)/t3-/m0/s1
別名:2-AMINO-BUT-3-YNOIC ACID
定義日:2001-02-13
最終更新日:2022-02-22
識別子（ID）:(2S)-2-aminobut-3-ynoic acid
U7W
U7W
表記:2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone
組成式:C16 H16 N4 O S
SMILES:C[CH]1N(CCc2sccc12)C(=O)Cn3nnc4ccccc34
InChi:InChI=1S/C16H16N4OS/c1-11-12-7-9-22-15(12)6-8-19(11)16(21)10-20-14-5-3-2-4-13(14)17-18-20/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m0/s1
定義日:2021-01-28
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone
V18
V18
表記:2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
組成式:C19 H19 N3 O2
SMILES:O=C1N[C]2(C[CH](C2)C3CCC3)C(=O)N1c4cncc5ccccc45
InChi:InChI=1S/C19H19N3O2/c23-17-19(8-14(9-19)12-5-3-6-12)21-18(24)22(17)16-11-20-10-13-4-1-2-7-15(13)16/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,21,24)/t14-,19-
定義日:2021-04-06
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
V1B
V1B
表記:7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
組成式:C21 H17 N3 O2
SMILES:O=C1N[C]2(C[CH](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45
InChi:InChI=1S/C21H17N3O2/c25-19-21(10-16(11-21)14-6-2-1-3-7-14)23-20(26)24(19)18-13-22-12-15-8-4-5-9-17(15)18/h1-9,12-13,16H,10-11H2,(H,23,26)/t16-,21+
定義日:2021-04-06
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
TU8
TU8
表記:(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
組成式:C16 H12 F N3 O2
SMILES:Fc1cncc(c1)N2C(=O)N[C]3(CCc4ccccc34)C2=O
InChi:InChI=1S/C16H12FN3O2/c17-11-7-12(9-18-8-11)20-14(21)16(19-15(20)22)6-5-10-3-1-2-4-13(10)16/h1-4,7-9H,5-6H2,(H,19,22)/t16-/m0/s1
定義日:2021-01-13
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
XRF
XRF
表記:1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
組成式:C10 H17 N2 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=O
InChi:InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1
定義日:2021-03-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
U9H
U9H
表記:2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
組成式:C15 H16 F N3 O2
SMILES:Fc1cncc(c1)N2C(=O)N[C]3(C[CH](C3)C4CCC4)C2=O
InChi:InChI=1S/C15H16FN3O2/c16-11-4-12(8-17-7-11)19-13(20)15(18-14(19)21)5-10(6-15)9-2-1-3-9/h4,7-10H,1-3,5-6H2,(H,18,21)/t10-,15-
別名:2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
定義日:2021-02-04
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
U9T
U9T
表記:~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
組成式:C15 H21 F N2 O
SMILES:CC1CCN(CC1)C(=O)NCCc2ccccc2F
InChi:InChI=1S/C15H21FN2O/c1-12-7-10-18(11-8-12)15(19)17-9-6-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H,17,19)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
U9W
U9W
表記:~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
組成式:C13 H17 Cl N2 O
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(Cl)cc2
InChi:InChI=1S/C13H17ClN2O/c1-10-6-8-16(9-7-10)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
U9Z
U9Z
表記:4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
組成式:C14 H17 F3 N2 O
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F
InChi:InChI=1S/C14H17F3N2O/c1-10-6-8-19(9-7-10)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
UA8
UA8
表記:~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
組成式:C14 H26 N2 O
SMILES:CC1CCN(CC1)C(=O)NC2CCCCCC2
InChi:InChI=1S/C14H26N2O/c1-12-8-10-16(11-9-12)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
UAB
UAB
表記:4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide
組成式:C17 H26 N2 O
SMILES:CC1CCN(CC1)C(=O)NCCCCc2ccccc2
InChi:InChI=1S/C17H26N2O/c1-15-10-13-19(14-11-15)17(20)18-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,18,20)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide
UAE
UAE
表記:~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
組成式:C13 H24 N2 O
SMILES:CC1CCN(CC1)C(=O)NC2CCCCC2
InChi:InChI=1S/C13H24N2O/c1-11-7-9-15(10-8-11)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
UAK
UAK
表記:4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide
組成式:C15 H22 N2 O
SMILES:CC1CCN(CC1)C(=O)N[CH](C)c2ccccc2
InChi:InChI=1S/C15H22N2O/c1-12-8-10-17(11-9-12)15(18)16-13(2)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,16,18)/t13-/m1/s1
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide
UAQ
UAQ
表記:~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
組成式:C12 H18 N2 O2
SMILES:CC1CCN(CC1)C(=O)NCc2occc2
InChi:InChI=1S/C12H18N2O2/c1-10-4-6-14(7-5-10)12(15)13-9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
UAT
UAT
表記:4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
組成式:C14 H20 N2 O
SMILES:CC1CCN(CC1)C(=O)NCc2ccccc2
InChi:InChI=1S/C14H20N2O/c1-12-7-9-16(10-8-12)14(17)15-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
UAW
UAW
表記:~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
組成式:C13 H18 N2 O2
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(O)cc2
InChi:InChI=1S/C13H18N2O2/c1-10-6-8-15(9-7-10)13(17)14-11-2-4-12(16)5-3-11/h2-5,10,16H,6-9H2,1H3,(H,14,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
UAZ
UAZ
表記:~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
組成式:C14 H20 N2 O2
SMILES:COc1ccc(NC(=O)N2CCC(C)CC2)cc1
InChi:InChI=1S/C14H20N2O2/c1-11-7-9-16(10-8-11)14(17)15-12-3-5-13(18-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
UB5
UB5
表記:4-methyl-~{N}-pentyl-piperidine-1-carboxamide
組成式:C12 H24 N2 O
SMILES:CCCCCNC(=O)N1CCC(C)CC1
InChi:InChI=1S/C12H24N2O/c1-3-4-5-8-13-12(15)14-9-6-11(2)7-10-14/h11H,3-10H2,1-2H3,(H,13,15)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-pentyl-piperidine-1-carboxamide
YAV
YAV
表記:2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid
組成式:C46 H40 N2 O10
SMILES:Cc1ccc2oc(C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5oc6ccc(C)cc6c5CC(O)=O)c(CC(O)=O)c2c1
InChi:InChI=1S/C46H40N2O10/c1-29-9-13-39-35(23-29)37(27-43(49)50)41(57-39)15-11-31-5-3-7-33(25-31)45(53)47-17-19-55-21-22-56-20-18-48-46(54)34-8-4-6-32(26-34)12-16-42-38(28-44(51)52)36-24-30(2)10-14-40(36)58-42/h3-10,13-14,23-26H,17-22,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52)
定義日:2021-02-15
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid
XU7
XU7
表記:(2S)-2-amino-4-boronobutanoic acid
組成式:C4 H10 B N O4
SMILES:B(O)(CCC(C(O)=O)N)O
InChi:InChI=1S/C4H10BNO4/c6-3(4(7)8)1-2-5(9)10/h3,9-10H,1-2,6H2,(H,7,8)/t3-/m0/s1
定義日:2021-01-13
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(2S)-2-amino-4-boronobutanoic acid
KJL
KJL
表記:Archazolid A
組成式:C42 H62 N2 O7 S
SMILES:O=C(OC(CC(C)C)c1nc(cs1)C1OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC1C)NC
InChi:InChI=1S/C42H62N2O7S/c1-25(2)20-37(50-42(48)43-11)40-44-34(24-52-40)39-30(7)15-13-14-29(6)38(49-12)33(10)35(45)19-17-26(3)21-28(5)22-32(9)36(46)23-27(4)16-18-31(8)41(47)51-39/h13-15,17-19,21-25,30,32-33,35-39,45-46H,16,20H2,1-12H3,(H,43,48)/b15-13+,19-17+,26-21-,27-23+,28-22-,29-14+,31-18+/t30-,32-,33-,35+,36+,37-,38+,39-/m0/s1
別名:(1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate
定義日:2022-02-03
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate

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