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YTF
YTF
表記:ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate
組成式:C9 H18 N2 O3
SMILES:CCOC(=O)CC[CH](N)CCC(N)=O
InChi:InChI=1S/C9H18N2O3/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H2,11,12)/t7-/m0/s1
定義日:2023-02-21
最終更新日:2023-11-03
公開日:2023-03-01
識別子（ID）:ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate
XW1
XW1
表記:(2S)-2-amino-7-ethoxy-7-oxoheptanoic acid
組成式:C9 H17 N O4
SMILES:O=C(OCC)CCCCC(C(=O)O)N
InChi:InChI=1S/C9H17NO4/c1-2-14-8(11)6-4-3-5-7(10)9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
定義日:2011-06-14
最終更新日:2023-11-03
識別子（ID）:(2S)-2-amino-7-ethoxy-7-oxoheptanoic acid
ZYJ
ZYJ
表記:(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
組成式:C14 H18 N2 O5
SMILES:O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2
InChi:InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1
定義日:2010-10-22
最終更新日:2023-11-03
識別子（ID）:(4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline
RV0
RV0
表記:(4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
組成式:C20 H18 Cl N3 O3 S
SMILES:Clc1ccc2c(c1)C(CNS2(=O)=O)(CC)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H18ClN3O3S/c1-2-20(12-23-28(26,27)18-8-7-14(21)9-16(18)20)19(25)24-17-11-22-10-13-5-3-4-6-15(13)17/h3-11,23H,2,12H2,1H3,(H,24,25)/t20-/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)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
ZYK
ZYK
表記:(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline
組成式:C14 H18 N2 O6
SMILES:O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2
InChi:InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1
別名:3,4-dimethoxybenzamidoxy proline
定義日:2010-10-22
最終更新日:2023-11-03
識別子（ID）:(4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline
ZHW
ZHW
表記:(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
組成式:C9 H10 F N O3 S
SMILES:FS(=O)(=O)Oc1cccc2c1CCC2N
InChi:InChI=1S/C9H10FNO3S/c10-15(12,13)14-9-3-1-2-6-7(9)4-5-8(6)11/h1-3,8H,4-5,11H2/t8-/m1/s1
定義日:2023-03-10
最終更新日:2023-11-03
公開日:2023-07-05
識別子（ID）:(1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
P1V
P1V
表記:(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
組成式:C9 H16 N4 O2
SMILES:Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1
InChi:InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
定義日:2022-09-29
最終更新日:2023-11-03
公開日:2023-01-11
識別子（ID）:(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
NSF
NSF
表記:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
組成式:C12 H15 I N4 O6
SMILES:OC(=O)CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O
InChi:InChI=1S/C12H15IN4O6/c13-6-1-16(12(22)15-11(6)21)2-9(18)17(3-10(19)20)8-5-23-4-7(8)14/h1,7-8H,2-5,14H2,(H,19,20)(H,15,21,22)/t7-,8-/m0/s1
定義日:2022-04-07
最終更新日:2023-11-03
公開日:2023-04-05
識別子（ID）:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
XX1
XX1
表記:N~6~-7H-PURIN-6-YL-L-LYSINE
組成式:C11 H16 N6 O2
SMILES:O=C(O)C(N)CCCCNc1ncnc2ncnc12
InChi:InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1
定義日:2007-04-26
最終更新日:2023-11-03
識別子（ID）:N~6~-7H-purin-6-yl-L-lysine
00I
00I
表記:N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine
組成式:C30 H35 N5 O6 S
SMILES:O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c3cc2ccccc2cc3)CCC(=O)O)Cc4ccc(C(=[N@H])N)cc4
InChi:InChI=1S/C30H35N5O6S/c31-28(32)22-10-8-20(9-11-22)18-26(30(39)35-16-4-1-5-17-35)33-29(38)25(14-15-27(36)37)34-42(40,41)24-13-12-21-6-2-3-7-23(21)19-24/h2-3,6-13,19,25-26,34H,1,4-5,14-18H2,(H3,31,32)(H,33,38)(H,36,37)/t25-,26+/m0/s1
定義日:2010-10-19
最終更新日:2023-11-03
識別子（ID）:N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-(naphthalen-2-ylsulfonyl)-L-alpha-glutamine
V61
V61
表記:2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine
組成式:C9 H6 F4 I N O2
SMILES:c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F
InChi:InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1
定義日:2020-07-06
最終更新日:2023-11-03
公開日:2021-07-07
識別子（ID）:2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine
RVL
RVL
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C24 H21 Cl N4 O3
SMILES:CNC(=O)C1(CC1)N1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C24H21ClN4O3/c1-26-23(32)24(8-9-24)29-13-19(18-10-15(25)6-7-17(18)22(29)31)21(30)28-20-12-27-11-14-4-2-3-5-16(14)20/h2-7,10-12,19H,8-9,13H2,1H3,(H,26,32)(H,28,30)/t19-/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)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
UQ4
UQ4
表記:N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
組成式:C9 H8 N4 O5
SMILES:C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O
InChi:InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15)
定義日:2020-05-27
最終更新日:2023-11-03
公開日:2020-06-03
識別子（ID）:N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
TXY
TXY
表記:3-[(5S)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-L-alanine
組成式:C9 H13 N O4
SMILES:O=C(O)C(N)CC1=CC=C(O)C(O)C1
InChi:InChI=1S/C9H13NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,6,8,11-12H,3-4,10H2,(H,13,14)/t6-,8-/m0/s1
定義日:2013-05-27
最終更新日:2023-11-03
公開日:2014-06-25
識別子（ID）:3-[(5S)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-L-alanine
XXA
XXA
表記:2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid
組成式:C11 H19 N O3
SMILES:O=C(O)C(NC)C(O)C(C/C=C/C=C)C
InChi:InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5+/t8-,9+,10-/m1/s1
定義日:2010-11-19
最終更新日:2023-11-03
識別子（ID）:2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid
NSR
NSR
表記:(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C19 H15 Cl N2 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H15ClN2O2/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/m1/s1
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
O87
O87
表記:4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
組成式:C21 H18 F3 N3 O2
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(ccc1)C(F)(F)F
InChi:InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
PVR
PVR
表記:2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide
組成式:C16 H22 N4 O2
SMILES:O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C1CC1
InChi:InChI=1S/C16H22N4O2/c1-12(21)20-8-6-19(7-9-20)11-16(22)18-15-10-17-5-4-14(15)13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,18,22)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide
TY1
TY1
表記:O-tert-butyl-L-tyrosine
組成式:C13 H19 N O3
SMILES:O=C(O)C(N)Cc1ccc(OC(C)(C)C)cc1
InChi:InChI=1S/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
定義日:2010-10-06
最終更新日:2023-11-03
識別子（ID）:O-tert-butyl-L-tyrosine
TY2
TY2
表記:3-AMINO-L-TYROSINE
組成式:C9 H12 N2 O3
SMILES:O=C(O)C(N)Cc1ccc(O)c(N)c1
InChi:InChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)/t7-/m0/s1
定義日:2007-11-17
最終更新日:2023-11-03
識別子（ID）:3-amino-L-tyrosine
NSU
NSU
表記:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
組成式:C13 H18 N4 O6
SMILES:OC(=O)CN(C1COCC1N)C(=O)CN1C=C(C)C(=O)NC1=O
InChi:InChI=1S/C13H18N4O6/c1-7-2-16(13(22)15-12(7)21)3-10(18)17(4-11(19)20)9-6-23-5-8(9)14/h2,8-9H,3-6,14H2,1H3,(H,19,20)(H,15,21,22)/t8-,9-/m0/s1
定義日:2022-04-07
最終更新日:2023-11-03
公開日:2023-04-05
識別子（ID）:N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
RVR
RVR
表記:(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
組成式:C18 H18 Cl N3 O3 S
SMILES:Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2CCCCc21
InChi:InChI=1S/C18H18ClN3O3S/c19-12-5-6-17-14(7-12)15(9-21-26(17,24)25)18(23)22-16-10-20-8-11-3-1-2-4-13(11)16/h5-8,10,15,21H,1-4,9H2,(H,22,23)/t15-/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)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
PH6
PH6
表記:(4S)-4-cyclohexyl-L-proline
組成式:C11 H19 N O2
SMILES:O=C(O)C2NCC(C1CCCCC1)C2
InChi:InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
定義日:2015-02-06
最終更新日:2023-11-03
公開日:2015-06-03
識別子（ID）:(4S)-4-cyclohexyl-L-proline
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
TY5
TY5
表記:O-benzyl-L-tyrosine
組成式:C16 H17 N O3
SMILES:O=C(O)C(N)Cc2ccc(OCc1ccccc1)cc2
InChi:InChI=1S/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1
定義日:2010-12-10
最終更新日:2023-11-03
識別子（ID）:O-benzyl-L-tyrosine

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