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PCA
PCA
表記:PYROGLUTAMIC ACID
組成式:C5 H7 N O3
SMILES:O=C(O)C1NC(=O)CC1
InChi:InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:5-oxo-L-proline
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
VW2
VW2
表記:N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
組成式:C21 H20 Cl N3 O3
SMILES:CCC(=O)N(C)CCOc1ccccc1Oc1cc(Cl)cn2cc(cc12)C#N
InChi:InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)8-9-27-18-6-4-5-7-19(18)28-20-11-16(22)14-25-13-15(12-23)10-17(20)25/h4-7,10-11,13-14H,3,8-9H2,1-2H3
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)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
OIK
OIK
表記:(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
組成式:C20 H19 N3 O
SMILES:O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:InChI=1S/C20H19N3O/c24-20(19-15-21-14-16-6-4-5-9-18(16)19)23-12-10-22(11-13-23)17-7-2-1-3-8-17/h1-9,14-15H,10-13H2
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
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
OIL
OIL
表記:(2S,3S)-2-hydroxy-3-methylpentanoic acid
組成式:C6 H12 O3
SMILES:O=C(O)C(O)C(C)CC
InChi:InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
定義日:2011-01-13
最終更新日:2023-11-03
識別子（ID）:(2S,3S)-2-hydroxy-3-methylpentanoic acid
ZCL
ZCL
表記:3,4-dichloro-L-phenylalanine
組成式:C9 H9 Cl2 N O2
SMILES:Clc1ccc(cc1Cl)CC(C(=O)O)N
InChi:InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
定義日:2010-12-29
最終更新日:2023-11-03
識別子（ID）:3,4-dichloro-L-phenylalanine
OIM
OIM
表記:[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
組成式:C21 H26 N4 O6
SMILES:O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)C(C)CC
InChi:InChI=1S/C21H26N4O6/c1-4-11(2)18(22)21(30)24-17(12(3)31-21)19-23-15(20(29)25(19)10-16(27)28)9-13-5-7-14(26)8-6-13/h5-9,11-12,18,26,30H,4,10,22H2,1-3H3,(H,27,28)/b15-9-/t11-,12+,18-,21+/m0/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2014-04-30
最終更新日:2023-11-03
公開日:2014-07-08
識別子（ID）:[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
VWB
VWB
表記:5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile
組成式:C24 H22 N2 O3
SMILES:O=C(CCOc1ccccc1Oc1cccc2cc(C#N)ccc21)N1CCCC1
InChi:InChI=1S/C24H22N2O3/c25-17-18-10-11-20-19(16-18)6-5-9-21(20)29-23-8-2-1-7-22(23)28-15-12-24(27)26-13-3-4-14-26/h1-2,5-11,16H,3-4,12-15H2
定義日:2023-09-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile
NOI
NOI
表記:2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide
組成式:C12 H12 Cl N3 O
SMILES:O=C(Nc1cncn1C)Cc1cccc(Cl)c1
InChi:InChI=1S/C12H12ClN3O/c1-16-8-14-7-11(16)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7-8H,6H2,1H3,(H,15,17)
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-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide
UNK
UNK
表記:UNKNOWN
組成式:C4 H9 N O2
SMILES:O=C(O)C(N)CC
InChi:InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(2S)-2-aminobutanoic 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
YAC
YAC
表記:(4Z)-6-oxo-6-phenylhex-4-enoic acid
組成式:C12 H12 O3
SMILES:O=C(C=C/CCC(=O)O)c1ccccc1
InChi:InChI=1S/C12H12O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,14,15)/b8-4-
定義日:2014-10-02
最終更新日:2023-11-03
公開日:2014-12-03
識別子（ID）:(4Z)-6-oxo-6-phenylhex-4-enoic 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
T09
T09
表記:(2S,4R)-2-amino-4-methyloctanoic acid
組成式:C9 H19 N O2
SMILES:NC(CC(C)CCCC)C(=O)O
InChi:InChI=1S/C9H19NO2/c1-3-4-5-7(2)6-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/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）:(2S,4R)-2-amino-4-methyloctanoic acid
PRA
PRA
表記:3-PHENYLPROPYLAMINE
組成式:C9 H13 N
SMILES:C(CCc1ccccc1)N
InChi:InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-phenylpropan-1-amine
Q69
Q69
表記:N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
組成式:C10 H12 Cl N O2
SMILES:Clc1cc(ccc1)C(NC(C)=O)CO
InChi:InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/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）:N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
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
ZV4
ZV4
表記:(2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid
組成式:C9 H12 N O5 P
SMILES:N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O
InChi:InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
別名:phosphophenylalanine
定義日:2023-04-06
最終更新日:2023-11-03
公開日:2023-04-19
識別子（ID）:(2~{S})-2-azanyl-3-(4-phosphonophenyl)propanoic acid
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
VWK
VWK
表記:3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide
組成式:C22 H20 N2 O3
SMILES:CN(C)C(=O)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21
InChi:InChI=1S/C22H20N2O3/c1-24(2)22(25)12-13-26-20-7-3-4-8-21(20)27-19-9-5-6-17-14-16(15-23)10-11-18(17)19/h3-11,14H,12-13H2,1-2H3
定義日:2023-09-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide
S6K
S6K
表記:1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
組成式:C27 H25 Cl N4 O3 S
SMILES:N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2C)c1cncc2ccccc21
InChi:InChI=1S/C27H25ClN4O3S/c1-18-13-32(24-12-30-11-19-4-2-3-5-22(19)24)25(33)27(18)16-31(14-20-6-7-21(28)10-23(20)27)36(34,35)17-26(15-29)8-9-26/h2-7,10-12,18H,8-9,13-14,16-17H2,1H3/t18-,27-/m0/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）:1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
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
XC0
XC0
表記:(2S)-2-aminooctanoic acid
組成式:C8 H17 N O2
SMILES:NC(CCCCCC)C(=O)O
InChi:InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1
定義日:2022-11-10
最終更新日:2023-11-03
公開日:2023-11-01
識別子（ID）:(2S)-2-aminooctanoic acid
NOR
NOR
表記:CYCLOHEXYL-NORSTATINE
組成式:C13 H25 N O3
SMILES:O=C(OC(C)C)C(O)C(N)CC1CCCCC1
InChi:InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:propan-2-yl (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoate

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