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5MW
5MW
表記:(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
組成式:C8 H15 N5 O2
SMILES:NCc1cn(CCC[CH](N)C(O)=O)nn1
InChi:InChI=1S/C8H15N5O2/c9-4-6-5-13(12-11-6)3-1-2-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1
定義日:2015-10-23
最終更新日:2024-09-27
公開日:2016-05-18
識別子（ID）:(2~{S})-5-[4-(aminomethyl)-1,2,3-triazol-1-yl]-2-azanyl-pentanoic acid
PRS
PRS
表記:THIOPROLINE
組成式:C4 H7 N O2 S
SMILES:O=C(O)C1NCSC1
InChi:InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(4R)-1,3-thiazolidine-4-carboxylic acid
S6F
S6F
表記:~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide
組成式:C11 H12 Cl N O2
SMILES:CC(=O)N[CH](Cc1ccccc1Cl)C=O
InChi:InChI=1S/C11H12ClNO2/c1-8(15)13-10(7-14)6-9-4-2-3-5-11(9)12/h2-5,7,10H,6H2,1H3,(H,13,15)/t10-/m0/s1
定義日:2022-12-13
最終更新日:2024-09-27
公開日:2022-12-21
識別子（ID）:~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide
VEP
VEP
表記:N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
組成式:C25 H33 N3 O3
SMILES:N(C1CCOCC1)C(=O)C(c2cccnc2)N(c3ccc(cc3)C(C)(C)C)C(=O)CC
InChi:InChI=1S/C25H33N3O3/c1-5-22(29)28(21-10-8-19(9-11-21)25(2,3)4)23(18-7-6-14-26-17-18)24(30)27-20-12-15-31-16-13-20/h6-11,14,17,20,23H,5,12-13,15-16H2,1-4H3,(H,27,30)/t23-/m1/s1
定義日:2020-08-05
最終更新日:2024-09-27
公開日:2020-12-02
識別子（ID）:N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
MHU
MHU
表記:4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE
組成式:C12 H18 N2 O2
SMILES:O=C(O)C(NC)Cc1ccc(N(C)C)cc1
InChi:InChI=1S/C12H18N2O2/c1-13-11(12(15)16)8-9-4-6-10(7-5-9)14(2)3/h4-7,11,13H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
定義日:2010-07-15
最終更新日:2024-09-27
識別子（ID）:4-(dimethylamino)-N-methyl-L-phenylalanine
MHV
MHV
表記:4-OXO-L-PIPECOLIC ACID
組成式:C6 H9 N O3
SMILES:O=C(O)C1NCCC(=O)C1
InChi:InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1
定義日:2010-07-15
最終更新日:2024-09-27
識別子（ID）:(2S)-4-oxopiperidine-2-carboxylic acid
O49
O49
表記:2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
組成式:C20 H26 Cl2 N2 O4
SMILES:ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Oc3ccc(Cl)cc3
InChi:InChI=1S/C20H26Cl2N2O4/c21-13-18(25)23-14-15-5-9-24(10-6-15)19(26)20(7-11-27-12-8-20)28-17-3-1-16(22)2-4-17/h1-4,15H,5-14H2,(H,23,25)
定義日:2022-08-26
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[[1-[4-(4-chloranylphenoxy)oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
YMS
YMS
表記:(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
組成式:C26 H39 N3 O8 S
SMILES:CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25+/m0/s1
定義日:2021-03-12
最終更新日:2024-09-27
公開日:2021-03-24
識別子（ID）:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
LOR
LOR
表記:LORACABEF (Open form)
組成式:C16 H18 Cl N3 O4
SMILES:O=C(O)C2=NC(C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl
InChi:InChI=1S/C16H18ClN3O4/c17-10-6-7-11(19-14(10)16(23)24)12(8-21)20-15(22)13(18)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7,18H2,(H,20,22)(H,23,24)/t10-,11+,12+,13+/m0/s1
別名:(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid
定義日:2000-08-11
最終更新日:2024-09-27
識別子（ID）:(3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid
MHW
MHW
表記:3-HYDROXYPICOLINIC ACID
組成式:C6 H5 N O3
SMILES:O=C(O)c1ncccc1O
InChi:InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
定義日:2010-07-15
最終更新日:2024-09-27
識別子（ID）:3-hydroxypyridine-2-carboxylic acid
PRV
PRV
表記:(2R)-amino(2-nitrophenyl)ethanoic acid
組成式:C8 H8 N2 O4
SMILES:[O-][N+](=O)c1ccccc1C(N)C(=O)O
InChi:InChI=1S/C8H8N2O4/c9-7(8(11)12)5-3-1-2-4-6(5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m1/s1
別名:2-(NITRO)PHENYLGLYCINE
定義日:2010-02-02
最終更新日:2024-09-27
識別子（ID）:(2R)-amino(2-nitrophenyl)ethanoic acid
ZOY
ZOY
表記:N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
組成式:C21 H35 N3 O2
SMILES:NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1
InChi:InChI=1S/C21H35N3O2/c22-19(21(23)26)15-11-17-24-20(25)16-10-5-3-1-2-4-7-12-18-13-8-6-9-14-18/h6,8-9,13-14,19H,1-5,7,10-12,15-17,22H2,(H2,23,26)(H,24,25)/t19-/m0/s1
定義日:2021-05-18
最終更新日:2024-09-27
公開日:2022-03-30
識別子（ID）:N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
Z3V
Z3V
表記:2-(ethylamino)ethane-1-thiol
組成式:C4 H11 N S
SMILES:CCNCCS
InChi:InChI=1S/C4H11NS/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
定義日:2021-04-08
最終更新日:2024-09-27
公開日:2021-11-24
識別子（ID）:2-(ethylamino)ethane-1-thiol
NPB
NPB
表記:3-NITROPHENYLBORONIC ACID
組成式:C6 H6 B N O4
SMILES:[O-][N+](=O)c1cc(B(O)O)ccc1
InChi:InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
定義日:2001-11-19
最終更新日:2024-09-27
識別子（ID）:(3-nitrophenyl)boronic acid
VES
VES
表記:Pyrrolidine
組成式:C4 H9 N
SMILES:N1CCCC1
InChi:InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
定義日:2013-04-23
最終更新日:2024-09-27
公開日:2013-05-01
識別子（ID）:pyrrolidine
MHY
MHY
表記:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C15 H15 F2 N3 O5
SMILES:NC(C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2)F)O)C(O)C
InChi:InChI=1S/C15H15F2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6,12,21,24H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
定義日:2019-04-02
最終更新日:2024-09-27
公開日:2020-04-08
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Z41
Z41
表記:(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
組成式:C35 H68 O5
SMILES:O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChi:InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
定義日:2012-12-17
最終更新日:2024-09-27
公開日:2021-04-07
識別子（ID）:(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
VET
VET
表記:[(1R,2S,4R)-2-HYDROXY-4-[(5R)-5-HYDROXY-5-METHYL-2,4-DIOXO-IMIDAZOLIDIN-1-YL]CYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE
組成式:C10 H17 N2 O8 P
SMILES:C[C]1(O)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2)C(=O)NC1=O
InChi:InChI=1S/C10H17N2O8P/c1-10(16)8(14)11-9(15)12(10)6-2-5(7(13)3-6)4-20-21(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6-,7+,10-/m1/s1
定義日:2010-11-25
最終更新日:2024-09-27
識別子（ID）:[(1R,2S,4R)-2-hydroxy-4-[(5R)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate
PRW
PRW
表記:(2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOIC ACID
組成式:C4 H9 N O4
SMILES:O=C(O)C(O)C(O)CN
InChi:InChI=1S/C4H9NO4/c5-1-2(6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3-/m1/s1
定義日:2010-02-02
最終更新日:2024-09-27
識別子（ID）:(2R,3R)-4-amino-2,3-dihydroxybutanoic acid
ULW
ULW
表記:[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
組成式:C22 H35 N O4
SMILES:CC(C)CCCC(C)=CCCC(C)=CCOC(=O)CCN1C(=O)CCC1=O
InChi:InChI=1S/C22H35NO4/c1-17(2)7-5-8-18(3)9-6-10-19(4)14-16-27-22(26)13-15-23-20(24)11-12-21(23)25/h9,14,17H,5-8,10-13,15-16H2,1-4H3/b18-9-,19-14-
定義日:2021-03-01
最終更新日:2024-09-27
公開日:2021-09-22
識別子（ID）:[(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
LOU
LOU
表記:3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine
組成式:C13 H16 N2 O7
SMILES:C(CN1C(C2C(C1=O)C3OC2(CC(N)C(=O)O)CC3)=O)(=O)O
InChi:InChI=1S/C13H16N2O7/c14-5(12(20)21)3-13-2-1-6(22-13)8-9(13)11(19)15(10(8)18)4-7(16)17/h5-6,8-9H,1-4,14H2,(H,16,17)(H,20,21)/t5-,6-,8+,9-,13-/m0/s1
定義日:2019-07-01
最終更新日:2024-09-27
公開日:2019-10-16
識別子（ID）:3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine
WOC
WOC
表記:2,2-dimethylbutanedioic acid
組成式:C6 H10 O4
SMILES:O=C(O)C(C)(C)CC(=O)O
InChi:InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
定義日:2014-07-25
最終更新日:2024-09-27
公開日:2014-08-20
識別子（ID）:2,2-dimethylbutanedioic acid
MHZ
MHZ
表記:5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE
組成式:C14 H24 N8 O3
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CN(CCCNN)C)N
InChi:InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
定義日:2001-03-13
最終更新日:2024-09-27
識別子（ID）:5'-deoxy-5'-[(3-hydrazinopropyl)(methyl)amino]adenosine
YMV
YMV
表記:(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
組成式:C26 H39 N3 O8 S
SMILES:CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25-/m0/s1
定義日:2021-03-12
最終更新日:2024-09-27
公開日:2021-03-24
識別子（ID）:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
LOV
LOV
表記:5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
組成式:C12 H25 N O3
SMILES:O=C(O)C(C(C)C)CC(O)C(N)CC(C)C
InChi:InChI=1S/C12H25NO3/c1-7(2)5-10(13)11(14)6-9(8(3)4)12(15)16/h7-11,14H,5-6,13H2,1-4H3,(H,15,16)/t9-,10-,11-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(propan-2-yl)octanoic acid

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