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VUB
VUB
表記:2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid
組成式:C17 H21 N3 O4
SMILES:CC(C)CC(=N)c1nc(Cc2ccc(O)cc2)c(O)n1CC(O)=O
InChi:InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,10,18,21,24H,7-9H2,1-2H3,(H,22,23)/b18-13-
定義日:2023-04-05
最終更新日:2023-11-03
公開日:2023-04-12
識別子（ID）:2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid
TSQ
TSQ
表記:4-(trimethylsilyl)-L-phenylalanine
組成式:C12 H19 N O2 Si
SMILES:c1cc(CC(C(O)=O)N)ccc1[Si](C)(C)C
InChi:InChI=1S/C12H19NO2Si/c1-16(2,3)10-6-4-9(5-7-10)8-11(13)12(14)15/h4-7,11H,8,13H2,1-3H3,(H,14,15)/t11-/m0/s1
定義日:2019-02-04
最終更新日:2023-11-03
公開日:2020-09-09
識別子（ID）:4-(trimethylsilyl)-L-phenylalanine
UKY
UKY
表記:3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
組成式:C5 H9 N4 O5 P
SMILES:C(O)(C(N)Cn1c(P(=O)(O)O)cnn1)=O
InChi:InChI=1S/C5H9N4O5P/c6-3(5(10)11)2-9-4(1-7-8-9)15(12,13)14/h1,3H,2,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1
定義日:2020-05-20
最終更新日:2023-11-03
公開日:2021-02-03
識別子（ID）:3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
XPC
XPC
表記:(3S,4R)-4-aminopyrrolidine-3-carboxylic acid
組成式:C5 H10 N2 O2
SMILES:O=C(O)C1CNCC1N
InChi:InChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1
別名:(3R,4S)-3-Aminopyrrolidine-4-carboxylic acid
定義日:2008-02-05
最終更新日:2023-11-03
識別子（ID）:(3S,4R)-4-aminopyrrolidine-3-carboxylic acid
TSY
TSY
表記:(2S)-2-amino-3-trisulfanylpropanoic acid
組成式:C3 H7 N O2 S3
SMILES:O=C(O)C(N)CSSS
InChi:InChI=1S/C3H7NO2S3/c4-2(3(5)6)1-8-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
定義日:2013-04-24
最終更新日:2023-11-03
公開日:2013-11-27
識別子（ID）:3-trisulfanyl-L-alanine
KFU
KFU
表記:(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
組成式:C18 H13 Cl N2 O2
SMILES:Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1
定義日:2023-08-11
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
XPL
XPL
表記:N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine
組成式:C12 H24 N4 O3
SMILES:O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C
InChi:InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1
別名:4-amino reduced pyrrolysine
定義日:2014-07-30
最終更新日:2023-11-03
識別子（ID）:N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine
X9B
X9B
表記:(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
組成式:C24 H27 Cl N4 O4
SMILES:CC(C)(OC)COc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC
InChi:InChI=1S/C24H27ClN4O4/c1-24(2,32-4)13-33-18-12-26-10-8-14(18)20-21(19-16(28-20)9-11-27-23(19)30)29-17-7-5-6-15(25)22(17)31-3/h5-8,10,12,28-29H,9,11,13H2,1-4H3,(H,27,30)
定義日:2022-11-07
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
XPR
XPR
表記:(2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid
組成式:C9 H15 N O6 S
SMILES:O=S(=O)(O)OC1CCC2CC(C(=O)O)NC2C1
InChi:InChI=1S/C9H15NO6S/c11-9(12)8-3-5-1-2-6(4-7(5)10-8)16-17(13,14)15/h5-8,10H,1-4H2,(H,11,12)(H,13,14,15)/t5-,6+,7-,8-/m0/s1
定義日:2010-11-05
最終更新日:2023-11-03
識別子（ID）:(2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid
WCR
WCR
表記:[(2R,4Z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid
組成式:C13 H15 N3 O5
SMILES:O=C(O)CN1C(=O)/C(NC1(O)CN)=C/c2ccc(O)cc2
InChi:InChI=1S/C13H15N3O5/c14-7-13(21)15-10(12(20)16(13)6-11(18)19)5-8-1-3-9(17)4-2-8/h1-5,15,17,21H,6-7,14H2,(H,18,19)/b10-5-/t13-/m1/s1
定義日:2011-07-18
最終更新日:2023-11-03
識別子（ID）:[(2R,4Z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid
X9H
X9H
表記:N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
組成式:C23 H20 N6 O
SMILES:C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1
InChi:InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1
定義日:2022-11-07
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
YNM
YNM
表記:N-METHYL-L-TYROSINE
組成式:C10 H13 N O3
SMILES:O=C(O)C(NC)Cc1ccc(O)cc1
InChi:InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1
定義日:2009-09-03
最終更新日:2023-11-03
識別子（ID）:N-methyl-L-tyrosine
KG9
KG9
表記:(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C24 H21 Cl N4 O3 S
SMILES:N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1
定義日:2023-08-11
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
X9Q
X9Q
表記:{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
組成式:C14 H17 N3 O3
SMILES:O=C1C(=NC(N1CC(=O)O)C(N)C)Cc2ccccc2
InChi:InChI=1S/C14H17N3O3/c1-9(15)13-16-11(7-10-5-3-2-4-6-10)14(20)17(13)8-12(18)19/h2-6,9,13H,7-8,15H2,1H3,(H,18,19)/t9-,13-/m0/s1
別名:CHROMOPHORE (ALA, PHE, GLY)
定義日:2007-03-22
最終更新日:2023-11-03
識別子（ID）:{(2S)-2-[(1S)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid
VVE
VVE
表記:3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile
組成式:C25 H19 Cl2 N3 O4
SMILES:N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1c2ccccc2N(C(=O)CC)C1=O
InChi:InChI=1S/C25H19Cl2N3O4/c1-2-24(31)30-21-6-4-3-5-20(21)29(25(30)32)9-10-33-23-14-17(26)7-8-22(23)34-19-12-16(15-28)11-18(27)13-19/h3-8,11-14H,2,9-10H2,1H3
定義日:2023-09-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile
Z7Z
Z7Z
表記:biphenyl-4-carboxylic acid
組成式:C13 H10 O2
SMILES:O=C(O)c2ccc(c1ccccc1)cc2
InChi:InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
定義日:2012-12-17
最終更新日:2023-11-03
公開日:2021-09-01
識別子（ID）:biphenyl-4-carboxylic acid
TTQ
TTQ
表記:6-AMINO-7-HYDROXY-L-TRYPTOPHAN
組成式:C11 H13 N3 O3
SMILES:O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)N
InChi:InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)/t8-/m0/s1
定義日:2006-08-21
最終更新日:2023-11-03
識別子（ID）:6-amino-7-hydroxy-L-tryptophan
J7H
J7H
表記:(2~{R})-2-azanyl-2-methyl-heptanoic acid
組成式:C8 H17 N O2
SMILES:CCCCC[C](C)(N)C(O)=O
InChi:InChI=1S/C8H17NO2/c1-3-4-5-6-8(2,9)7(10)11/h3-6,9H2,1-2H3,(H,10,11)/t8-/m1/s1
定義日:2019-02-08
最終更新日:2023-11-03
公開日:2019-10-02
識別子（ID）:(2~{R})-2-azanyl-2-methyl-heptanoic acid
TTS
TTS
表記:3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE
組成式:C17 H18 N2 O5
SMILES:O=C2C=C(O)/C(=N/CCc1ccc(O)cc1)C=C2CC(C(=O)O)N
InChi:InChI=1S/C17H18N2O5/c18-13(17(23)24)7-11-8-14(16(22)9-15(11)21)19-6-5-10-1-3-12(20)4-2-10/h1-4,8-9,13,20,22H,5-7,18H2,(H,23,24)/b19-14+/t13-/m0/s1
定義日:2005-09-06
最終更新日:2023-11-03
識別子（ID）:3-[(3E)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
VVN
VVN
表記:N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
組成式:C21 H21 N3 O3
SMILES:CCC(=O)N(C)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C21H21N3O3/c1-3-21(25)23(2)11-12-26-19-7-4-5-8-20(19)27-18-9-6-10-24-15-16(14-22)13-17(18)24/h4-10,13,15H,3,11-12H2,1-2H3
定義日:2023-09-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
U8S
U8S
表記:3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine
組成式:C6 H11 N3 O3
SMILES:NC(CC1=CNC(O)N1)C(=O)O
InChi:InChI=1S/C6H11N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4,6,8-9,12H,1,7H2,(H,10,11)/t4-,6-/m0/s1
定義日:2022-08-10
最終更新日:2023-11-03
公開日:2023-10-18
識別子（ID）:3-[(2S)-2-hydroxy-2,3-dihydro-1H-imidazol-4-yl]-L-alanine
YOF
YOF
表記:3-FLUOROTYROSINE
組成式:C9 H10 F N O3
SMILES:Fc1cc(ccc1O)CC(C(=O)O)N
InChi:InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-fluoro-L-tyrosine
XA6
XA6
表記:(2S)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid
組成式:C10 H12 N2 O3
SMILES:N[CH](Cc1ccc(cc1)C(N)=O)C(O)=O
InChi:InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m0/s1
定義日:2021-04-01
最終更新日:2023-11-03
公開日:2021-12-15
識別子（ID）:(2~{S})-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid
V1C
V1C
表記:(2S)-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid
組成式:C16 H21 N3 O2
SMILES:CC(C)Cn1cc(cn1)c2ccc(C[CH](N)C(O)=O)cc2
InChi:InChI=1S/C16H21N3O2/c1-11(2)9-19-10-14(8-18-19)13-5-3-12(4-6-13)7-15(17)16(20)21/h3-6,8,10-11,15H,7,9,17H2,1-2H3,(H,20,21)/t15-/m0/s1
定義日:2023-07-03
最終更新日:2023-11-03
公開日:2023-11-01
識別子（ID）:(2~{S})-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid
0JT
0JT
表記:(4R)-4-amino-5-methylhexanoic acid
組成式:C7 H15 N O2
SMILES:O=C(O)CCC(N)C(C)C
InChi:InChI=1S/C7H15NO2/c1-5(2)6(8)3-4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
定義日:2012-08-16
最終更新日:2023-11-03
公開日:2012-08-24
識別子（ID）:(4R)-4-amino-5-methylhexanoic acid

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