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ZIQ
ZIQ
表記:alpha-methyl-L-tryptophan
組成式:C12 H14 N2 O2
SMILES:NC(C(O)=O)(Cc1cnc2c1cccc2)C
InChi:InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1
定義日:2018-06-13
最終更新日:2023-11-03
公開日:2020-01-01
識別子（ID）:alpha-methyl-L-tryptophan
XZC
XZC
表記:3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide
組成式:C23 H23 B N O5
SMILES:COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1
定義日:2023-06-09
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide
0QZ
0QZ
表記:D-Isoserine
組成式:C3 H7 N O3
SMILES:O=C(O)C(O)CN
InChi:InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
別名:(2R)-3-amino-2-hydroxypropanoic acid
定義日:2012-08-23
最終更新日:2023-11-03
公開日:2014-05-07
識別子（ID）:(2R)-3-amino-2-hydroxypropanoic acid
VO8
VO8
表記:5-(2-{2-[2-oxo-3-(prop-2-enoyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethoxy}phenoxy)naphthalene-2-carbonitrile
組成式:C29 H23 N3 O4
SMILES:N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1c2ccccc2N(C(=O)CC)C1=O
InChi:InChI=1S/C29H23N3O4/c1-2-28(33)32-24-10-4-3-9-23(24)31(29(32)34)16-17-35-26-11-5-6-12-27(26)36-25-13-7-8-21-18-20(19-30)14-15-22(21)25/h3-15,18H,2,16-17H2,1H3
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:5-{2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile
VOI
VOI
表記:3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
組成式:C20 H19 N3 O3
SMILES:CN(C)C(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C20H19N3O3/c1-22(2)20(24)9-11-25-18-6-3-4-7-19(18)26-17-8-5-10-23-14-15(13-21)12-16(17)23/h3-8,10,12,14H,9,11H2,1-2H3
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-(2-{[(4S)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N,N-dimethylpropanamide
UU4
UU4
表記:(2S)-2-amino-4-(L-serylamino)butanoic acid
組成式:C7 H15 N3 O4
SMILES:O=C(NCCC(C(=O)O)N)C(N)CO
InChi:InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1
定義日:2012-11-14
最終更新日:2023-11-03
公開日:2013-08-21
識別子（ID）:(2S)-2-amino-4-(L-serylamino)butanoic acid
VP2
VP2
表記:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
組成式:C20 H17 F2 N3 O3
SMILES:FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26)
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
KPF
KPF
表記:N-(1-carboxy-2-fluoro-ethenyl) lysine
組成式:C9 H15 F N2 O4
SMILES:N[CH](CCCCN=C(CF)C(O)=O)C(O)=O
InChi:InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1
定義日:2015-07-15
最終更新日:2023-11-03
公開日:2015-11-18
識別子（ID）:(2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid
KPY
KPY
表記:(2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID
組成式:C8 H14 N2 O4 S
SMILES:O=C(O)C(N)CSCC/N=C(/C(=O)O)C
InChi:InChI=1S/C8H14N2O4S/c1-5(7(11)12)10-2-3-15-4-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,11,12)(H,13,14)/b10-5+/t6-/m0/s1
別名:PYRUVOYL-L-THIALYSINE
定義日:2012-02-03
最終更新日:2023-11-03
公開日:2013-01-18
識別子（ID）:S-{2-[(E)-(1-carboxyethylidene)amino]ethyl}-L-cysteine
U2X
U2X
表記:O-(cyclohexylmethyl)-L-tyrosine
組成式:C16 H23 N O3
SMILES:O=C(O)C(N)Cc2ccc(OCC1CCCCC1)cc2
InChi:InChI=1S/C16H23NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,17H2,(H,18,19)/t15-/m0/s1
定義日:2012-01-12
最終更新日:2023-11-03
識別子（ID）:O-(cyclohexylmethyl)-L-tyrosine
UIA
UIA
表記:[(2~{R})-1-azanylpropan-2-yl]carbamic acid
組成式:C4 H10 N2 O2
SMILES:C[CH](CN)NC(O)=O
InChi:InChI=1S/C4H10N2O2/c1-3(2-5)6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m1/s1
定義日:2019-10-12
最終更新日:2023-11-03
公開日:2021-02-17
識別子（ID）:[(2~{R})-1-azanylpropan-2-yl]carbamic acid
X5P
X5P
表記:4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
組成式:C7 H11 N O5
SMILES:C[CH](NC(=O)CCC(O)=O)C(O)=O
InChi:InChI=1S/C7H11NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1
定義日:2023-05-31
最終更新日:2023-11-03
公開日:2023-06-14
識別子（ID）:4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
U3X
U3X
表記:4-[(cyclohexylmethyl)amino]-L-phenylalanine
組成式:C16 H24 N2 O2
SMILES:O=C(O)C(N)Cc2ccc(NCC1CCCCC1)cc2
InChi:InChI=1S/C16H24N2O2/c17-15(16(19)20)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h6-9,13,15,18H,1-5,10-11,17H2,(H,19,20)/t15-/m0/s1
定義日:2013-05-06
最終更新日:2023-11-03
公開日:2013-06-19
識別子（ID）:4-[(cyclohexylmethyl)amino]-L-phenylalanine
WPA
WPA
表記:(betaR)-beta-methoxy-L-phenylalanine
組成式:C10 H13 N O3
SMILES:O=C(O)C(N)C(OC)c1ccccc1
InChi:InChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1
定義日:2013-06-18
最終更新日:2023-11-03
公開日:2013-09-18
識別子（ID）:(betaR)-beta-methoxy-L-phenylalanine
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
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
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
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
KX9
KX9
表記:(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide
組成式:C17 H15 Cl N4 O
SMILES:Clc1cccc(c1)C(C)C(=O)Nc1cnccc1n1cccn1
InChi:InChI=1S/C17H15ClN4O/c1-12(13-4-2-5-14(18)10-13)17(23)21-15-11-19-8-6-16(15)22-9-3-7-20-22/h2-12H,1H3,(H,21,23)/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）:(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide
KY0
KY0
表記:1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
組成式:C16 H15 Cl N2 O
SMILES:O=C(Nc1cnccc1C)C1(CC1)c1cccc(Cl)c1
InChi:InChI=1S/C16H15ClN2O/c1-11-5-8-18-10-14(11)19-15(20)16(6-7-16)12-3-2-4-13(17)9-12/h2-5,8-10H,6-7H2,1H3,(H,19,20)
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-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide
KYQ
KYQ
表記:(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
組成式:C9 H16 N2 O5
SMILES:O=C(O)C(N)CCCC/N=C(/C(=O)O)CO
InChi:InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1
定義日:2008-04-04
最終更新日:2023-11-03
識別子（ID）:(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine
7C9
7C9
表記:O-methyl-L-serine
組成式:C4 H9 N O3
SMILES:O(CC(N)C(=O)O)C
InChi:InChI=1S/C4H9NO3/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
定義日:2016-10-03
最終更新日:2023-11-03
公開日:2017-01-11
識別子（ID）:O-methyl-L-serine
L3I
L3I
表記:2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide
組成式:C16 H17 Cl N2 O
SMILES:O=C(Nc1cnccc1C)C(C)(C)c1cccc(Cl)c1
InChi:InChI=1S/C16H17ClN2O/c1-11-7-8-18-10-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12/h4-10H,1-3H3,(H,19,20)
定義日:2023-08-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide

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