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YPZ
YPZ
表記:3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine
組成式:C15 H15 N3 O4
SMILES:O=C2C=C(O)C(=N/Nc1ccccc1)C=C2CC(C(=O)O)N
InChi:InChI=1S/C15H15N3O4/c16-11(15(21)22)6-9-7-12(14(20)8-13(9)19)18-17-10-4-2-1-3-5-10/h1-5,7-8,11,17,20H,6,16H2,(H,21,22)/b18-12-/t11-/m0/s1
定義日:2013-04-12
最終更新日:2023-11-03
公開日:2013-04-24
識別子（ID）:3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine
PBF
PBF
表記:PARA-(BENZOYL)-PHENYLALANINE
組成式:C16 H15 N O3
SMILES:O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
InChi:InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
定義日:2000-02-22
最終更新日:2023-11-03
識別子（ID）:4-(phenylcarbonyl)-L-phenylalanine
ZTG
ZTG
表記:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine
組成式:C18 H30 Cl N O4 Si
SMILES:Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O
InChi:InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17-/m1/s1
定義日:2023-03-30
最終更新日:2023-11-03
公開日:2023-06-21
識別子（ID）:(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine
PQ6
PQ6
表記:(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H18 Cl N3 O2
SMILES:Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
0A1
0A1
表記:O-methyl-L-tyrosine
組成式:C10 H13 N O3
SMILES:O=C(O)C(N)Cc1ccc(OC)cc1
InChi:InChI=1S/C10H13NO3/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
定義日:2007-11-09
最終更新日:2023-11-03
識別子（ID）:O-methyl-L-tyrosine
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
KEO
KEO
表記:e(R)-beta-lysyl-hydroxylysine
組成式:C12 H26 N4 O4
SMILES:NCCC[CH](N)CC(=O)NCC[CH](O)C[CH](N)C(O)=O
InChi:InChI=1S/C12H26N4O4/c13-4-1-2-8(14)6-11(18)16-5-3-9(17)7-10(15)12(19)20/h8-10,17H,1-7,13-15H2,(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1
定義日:2017-10-05
最終更新日:2023-11-03
公開日:2017-11-22
識別子（ID）:(2~{S},4~{S})-2-azanyl-6-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]-4-oxidanyl-hexanoic 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
XAW
XAW
表記:[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone
組成式:C21 H28 Cl N3 O
SMILES:O=C(N1CCN(CC1)c1cc(Cl)ccc1N)C12CC3CC(C1)CC(C3)C2
InChi:InChI=1S/C21H28ClN3O/c22-17-1-2-18(23)19(10-17)24-3-5-25(6-4-24)20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13,23H2/t14-,15+,16-,21-
定義日:2022-11-08
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone
ZTT
ZTT
表記:(1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one
組成式:C26 H28 N2 O4
SMILES:C[CH]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12
InChi:InChI=1S/C26H28N2O4/c1-17-23-7-5-21(15-19(23)9-11-27(3)25(17)29)31-13-14-32-22-6-8-24-18(2)26(30)28(4)12-10-20(24)16-22/h5-12,15-18H,13-14H2,1-4H3
別名:(1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
定義日:2023-07-25
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1~{R})-7-[2-[[(1~{R})-1,3-dimethyl-2-oxidanylidene-1~{H}-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1~{H}-3-benzazepin-2-one
Q5C
Q5C
表記:N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide
組成式:C15 H16 N4 O2
SMILES:O=C(Nc1cnccc1C)CNC(=O)Cc1cccnc1
InChi:InChI=1S/C15H16N4O2/c1-11-4-6-17-9-13(11)19-15(21)10-18-14(20)7-12-3-2-5-16-8-12/h2-6,8-9H,7,10H2,1H3,(H,18,20)(H,19,21)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide
SZF
SZF
表記:1-methoxy-N-methyl-L-tryptophan
組成式:C13 H16 N2 O3
SMILES:O=C(O)C(NC)Cc1cn(OC)c2ccccc21
InChi:InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1
定義日:2022-07-13
最終更新日:2023-11-03
公開日:2023-05-24
識別子（ID）:1-methoxy-N-methyl-L-tryptophan
S5L
S5L
表記:(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C29 H26 Cl N5 O3
SMILES:CC(=O)Nc1ccc(cc1)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C29H26ClN5O3/c1-18(36)32-22-8-10-23(11-9-22)33-28(37)17-35-15-20-6-7-21(30)12-25(20)26(16-35)29(38)34-27-14-31-13-19-4-2-3-5-24(19)27/h2-14,26H,15-17H2,1H3,(H,32,36)(H,33,37)(H,34,38)/t26-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
0AF
0AF
表記:7-hydroxy-L-tryptophan
組成式:C11 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1cccc(O)c1nc2
InChi:InChI=1S/C11H12N2O3/c12-8(11(15)16)4-6-5-13-10-7(6)2-1-3-9(10)14/h1-3,5,8,13-14H,4,12H2,(H,15,16)/t8-/m0/s1
定義日:2007-11-11
最終更新日:2023-11-03
識別子（ID）:7-hydroxy-L-tryptophan
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
OI4
OI4
表記:(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C16 H15 Cl N2 O2
SMILES:Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C16H15ClN2O2/c1-10-4-6-18-9-14(10)19-16(20)12-5-7-21-15-3-2-11(17)8-13(12)15/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t12-/m1/s1
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Q5K
Q5K
表記:(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
組成式:C19 H16 F N3 O4 S
SMILES:OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChi:InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
KF2
KF2
表記:[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid
組成式:C16 H26 N O3 P
SMILES:CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O
InChi:InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1
定義日:2019-05-16
最終更新日:2023-11-03
公開日:2019-12-18
識別子（ID）:[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid
NO0
NO0
表記:2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
組成式:C19 H14 N2 O
SMILES:C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H14N2O/c1-2-14-6-5-7-15(10-14)11-19(22)21-18-13-20-12-16-8-3-4-9-17(16)18/h1,3-10,12-13H,11H2,(H,21,22)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
O2R
O2R
表記:2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C18 H21 Cl N2 O2
SMILES:O=C(Nc1cnccc1C)Cc1cc(Cl)ccc1OCCCC
InChi:InChI=1S/C18H21ClN2O2/c1-3-4-9-23-17-6-5-15(19)10-14(17)11-18(22)21-16-12-20-8-7-13(16)2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,22)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
Q5R
Q5R
表記:4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
組成式:C20 H19 N3 O2
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
ZBZ
ZBZ
表記:S-(phenylcarbonyl)-L-cysteine
組成式:C10 H11 N O3 S
SMILES:O=C(O)C(N)CSC(=O)c1ccccc1
InChi:InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1
定義日:2010-02-09
最終更新日:2023-11-03
識別子（ID）:S-benzoyl-L-cysteine
OIE
OIE
表記:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
組成式:C16 H12 Cl N3 O
SMILES:O=C(Cc1cc(Cl)ccn1)Nc1cncc2ccccc21
InChi:InChI=1S/C16H12ClN3O/c17-12-5-6-19-13(7-12)8-16(21)20-15-10-18-9-11-3-1-2-4-14(11)15/h1-7,9-10H,8H2,(H,20,21)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
0AR
0AR
表記:N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
組成式:C8 H16 N4 O3
SMILES:O=C(O)C(N)CCCNC(=[N@H])NC(=O)C
InChi:InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1
定義日:2009-07-10
最終更新日:2023-11-03
識別子（ID）:N~5~-(N-acetylcarbamimidoyl)-L-ornithine
ZUK
ZUK
表記:5-pyrimidin-2-yl-D-norvaline
組成式:C9 H13 N3 O2
SMILES:O=C(O)C(N)CCCc1ncccn1
InChi:InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1
定義日:2009-07-31
最終更新日:2023-11-03
識別子（ID）:5-pyrimidin-2-yl-D-norvaline

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