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VR9
VR9
表記:N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
組成式:C21 H20 Cl N3 O3
SMILES:CCC(=O)N(C)CCOc1cc(Cl)ccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)9-10-27-20-12-16(22)6-7-19(20)28-18-5-4-8-25-14-15(13-23)11-17(18)25/h4-8,11-12,14H,3,9-10H2,1-2H3
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[2-(5-chloro-2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
VRF
VRF
表記:N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
組成式:C23 H20 N2 O3
SMILES:C=CC(=O)N(C)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21
InChi:InChI=1S/C23H20N2O3/c1-3-23(26)25(2)13-14-27-21-8-4-5-9-22(21)28-20-10-6-7-18-15-17(16-24)11-12-19(18)20/h3-12,15H,1,13-14H2,2H3
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
X6E
X6E
表記:2-ethyl-D-norvaline
組成式:C7 H15 N O2
SMILES:CCCC(N)(CC)C(=O)O
InChi:InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m1/s1
定義日:2023-06-02
最終更新日:2023-11-03
公開日:2023-08-16
識別子（ID）:2-ethyl-D-norvaline
0UO
0UO
表記:4-methoxy-L-tryptophan
組成式:C12 H14 N2 O3
SMILES:O=C(O)C(N)Cc2c1c(cccc1OC)nc2
InChi:InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)/t8-/m0/s1
定義日:2012-06-20
最終更新日:2023-11-03
公開日:2012-09-21
識別子（ID）:4-methoxy-L-tryptophan
UX8
UX8
表記:(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid
組成式:C11 H12 N2 O3
SMILES:N[CH]([CH](O)c1c[nH]c2ccccc12)C(O)=O
InChi:InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10+/m0/s1
定義日:2021-03-25
最終更新日:2023-11-03
公開日:2021-04-21
識別子（ID）:(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid
KS0
KS0
表記:1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one
組成式:C14 H19 F N2 O
SMILES:CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChi:InChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one
VRQ
VRQ
表記:N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
組成式:C23 H19 Cl N2 O3
SMILES:Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cccc3cc(C#N)ccc23)cc1
InChi:InChI=1S/C23H19ClN2O3/c1-3-23(27)26(2)11-12-28-22-14-18(24)8-10-21(22)29-20-6-4-5-17-13-16(15-25)7-9-19(17)20/h3-10,13-14H,1,11-12H2,2H3
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
KSI
KSI
表記:1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one
組成式:C17 H25 Cl N2 O
SMILES:CC(C)CC1CN(CCN1Cc1cc(Cl)ccc1)C(C)=O
InChi:InChI=1S/C17H25ClN2O/c1-13(2)9-17-12-19(14(3)21)7-8-20(17)11-15-5-4-6-16(18)10-15/h4-6,10,13,17H,7-9,11-12H2,1-3H3/t17-/m0/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one
74P
74P
表記:(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine
組成式:C11 H18 N2 O5
SMILES:C(C/C(=NCCCCC(N)C(O)=O)C(=O)O)(C)=O
InChi:InChI=1S/C11H18N2O5/c1-7(14)6-9(11(17)18)13-5-3-2-4-8(12)10(15)16/h8H,2-6,12H2,1H3,(H,15,16)(H,17,18)/b13-9+/t8-/m0/s1
定義日:2016-08-24
最終更新日:2023-11-03
公開日:2016-10-05
識別子（ID）:(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine
KSX
KSX
表記:2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C14 H12 N4 O
SMILES:O=C(Nc1cnccc1C)Cc1cc(C#N)cnc1
InChi:InChI=1S/C14H12N4O/c1-10-2-3-16-9-13(10)18-14(19)5-11-4-12(6-15)8-17-7-11/h2-4,7-9H,5H2,1H3,(H,18,19)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
VDE
VDE
表記:(2S)-2-azanyl-6-[4-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid
組成式:C11 H20 N6 O3
SMILES:N[CH](CCCCn1cc(C[CH](N)C(N)=O)nn1)C(O)=O
InChi:InChI=1S/C11H20N6O3/c12-8(11(19)20)3-1-2-4-17-6-7(15-16-17)5-9(13)10(14)18/h6,8-9H,1-5,12-13H2,(H2,14,18)(H,19,20)/t8-,9-/m0/s1
定義日:2021-05-06
最終更新日:2023-11-03
公開日:2023-04-26
識別子（ID）:(2~{S})-2-azanyl-6-[4-[(2~{S})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]hexanoic acid
KT9
KT9
表記:N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
組成式:C16 H16 N4 O3
SMILES:Cc1cc(cc(OC2CC(=O)N2)c1)NC(=O)Cc1cncnc1
InChi:InChI=1S/C16H16N4O3/c1-10-2-12(5-13(3-10)23-16-6-15(22)20-16)19-14(21)4-11-7-17-9-18-8-11/h2-3,5,7-9,16H,4,6H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
JKH
JKH
表記:4-amino-Proline
組成式:C5 H11 N2 O2
SMILES:[NH3+][CH]1CN[CH](C1)C(O)=O
InChi:InChI=1S/C5H10N2O2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2,6H2,(H,8,9)/p+1/t3-,4-/m0/s1
定義日:2019-03-07
最終更新日:2023-11-03
公開日:2019-05-29
識別子（ID）:[(3~{S},5~{S})-5-carboxypyrrolidin-3-yl]azanium
KU6
KU6
表記:(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C15 H15 Cl N4 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1
InChi:InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m1/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
KUU
KUU
表記:(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide
組成式:C17 H19 Cl N2 O
SMILES:O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(C)C
InChi:InChI=1S/C17H19ClN2O/c1-11(2)16(13-5-4-6-14(18)9-13)17(21)20-15-10-19-8-7-12(15)3/h4-11,16H,1-3H3,(H,20,21)/t16-/m1/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide
JLP
JLP
表記:(2S)-2-azanyl-6-[E-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid
組成式:C14 H21 N3 O4
SMILES:Cc1ncc(CO)c(C=NCCCC[CH](N)C(O)=O)c1O
InChi:InChI=1S/C14H21N3O4/c1-9-13(19)11(10(8-18)6-17-9)7-16-5-3-2-4-12(15)14(20)21/h6-7,12,18-19H,2-5,8,15H2,1H3,(H,20,21)/b16-7+/t12-/m0/s1
定義日:2018-06-03
最終更新日:2023-11-03
公開日:2019-05-29
識別子（ID）:(2~{S})-2-azanyl-6-[(~{E})-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylideneamino]hexanoic acid
KV6
KV6
表記:(3R)-3-aminoheptadecanoic acid
組成式:C17 H35 N O2
SMILES:NC(CCCCCCCCCCCCCC)CC(=O)O
InChi:InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1
別名:N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl )-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl ]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
定義日:2022-02-16
最終更新日:2023-11-03
公開日:2023-03-01
識別子（ID）:(3R)-3-aminoheptadecanoic acid
KVF
KVF
表記:(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
組成式:C15 H16 Cl N3 O
SMILES:Cc1cnncc1NC(=O)C(CC)c1cccc(Cl)c1
InChi:InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
KVO
KVO
表記:2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide
組成式:C15 H15 Cl N2 O
SMILES:Cc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1
InChi:InChI=1S/C15H15ClN2O/c1-10-6-7-17-11(2)15(10)18-14(19)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H,18,19)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide
KVX
KVX
表記:(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
組成式:C15 H13 Cl N2 O3
SMILES:OCc1ccncc1NC(=O)C1COc2ccc(Cl)cc21
InChi:InChI=1S/C15H13ClN2O3/c16-10-1-2-14-11(5-10)12(8-21-14)15(20)18-13-6-17-4-3-9(13)7-19/h1-6,12,19H,7-8H2,(H,18,20)/t12-/m1/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
JMO
JMO
表記:(2R)-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid
組成式:C9 H14 N2 O4
SMILES:CN[CH](C)C(=O)O[CH](CCC#N)C(O)=O
InChi:InChI=1S/C9H14N2O4/c1-6(11-2)9(14)15-7(8(12)13)4-3-5-10/h6-7,11H,3-4H2,1-2H3,(H,12,13)/t6-,7+/m0/s1
定義日:2022-05-05
最終更新日:2023-11-03
公開日:2023-03-22
識別子（ID）:(2~{R})-4-cyano-2-[(2~{S})-2-(methylamino)propanoyl]oxy-butanoic acid
KW9
KW9
表記:7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式:C19 H17 F N2 O4
SMILES:COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cc(F)ccc21
InChi:InChI=1S/C19H17FN2O4/c1-25-16-4-2-3-5-17(16)26-9-8-21-19(24)14-11-18(23)22-15-10-12(20)6-7-13(14)15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H,22,23)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
JMX
JMX
表記:(2S)-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-(methylamino)propanoic acid
組成式:C19 H19 Br N2 O2
SMILES:CN[CH](Cc1cn(Cc2ccc(Br)cc2)c3ccccc13)C(O)=O
InChi:InChI=1S/C19H19BrN2O2/c1-21-17(19(23)24)10-14-12-22(18-5-3-2-4-16(14)18)11-13-6-8-15(20)9-7-13/h2-9,12,17,21H,10-11H2,1H3,(H,23,24)/t17-/m0/s1
別名:SC45647
定義日:2022-05-05
最終更新日:2023-11-03
公開日:2023-03-22
識別子（ID）:(2~{S})-3-[1-[(4-bromophenyl)methyl]indol-3-yl]-2-(methylamino)propanoic acid
KWR
KWR
表記:N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide
組成式:C16 H15 N3 O3
SMILES:O=C(Cc1cccnc1)Nc1cccc(c1)OC1CC(=O)N1
InChi:InChI=1S/C16H15N3O3/c20-14(7-11-3-2-6-17-10-11)18-12-4-1-5-13(8-12)22-16-9-15(21)19-16/h1-6,8,10,16H,7,9H2,(H,18,20)(H,19,21)/t16-/m0/s1
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide
KWS
KWS
表記:{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C9 H13 N3 O4
SMILES:O=C1C(N=C(N1CC(=O)O)C(N)C(O)C)=C
InChi:InChI=1S/C9H13N3O4/c1-4-9(16)12(3-6(14)15)8(11-4)7(10)5(2)13/h5,7,13H,1,3,10H2,2H3,(H,14,15)/t5-,7+/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2011-11-18
最終更新日:2023-11-03
識別子（ID）:{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

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