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VAD
VAD
表記:DEAMINOHYDROXYVALINE
組成式:C5 H10 O3
SMILES:O=C(O)C(O)C(C)C
InChi:InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(2R)-2-hydroxy-3-methylbutanoic acid
KQ9
KQ9
表記:1-[(dimethylamino)methyl]cyclobutan-1-amine
組成式:C7 H16 N2
SMILES:CN(C)CC1(N)CCC1
InChi:InChI=1S/C7H16N2/c1-9(2)6-7(8)4-3-5-7/h3-6,8H2,1-2H3
定義日:2022-06-01
最終更新日:2023-11-03
公開日:2022-12-07
識別子（ID）:1-[(dimethylamino)methyl]cyclobutan-1-amine
VAH
VAH
表記:(3R)-3-hydroxy-L-norvaline
組成式:C5 H11 N O3
SMILES:O=C(O)C(N)C(O)CC
InChi:InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m1/s1
別名:L-3-Hydroxynorvaline
定義日:2010-06-16
最終更新日:2023-11-03
識別子（ID）:(3R)-3-hydroxy-L-norvaline
VQ0
VQ0
表記:3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile
組成式:C19 H12 Cl3 N3 O4
SMILES:N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1C=C(Cl)C(=O)NC1=O
InChi:InChI=1S/C19H12Cl3N3O4/c20-12-1-2-16(29-14-6-11(9-23)5-13(21)7-14)17(8-12)28-4-3-25-10-15(22)18(26)24-19(25)27/h1-2,5-8,10H,3-4H2,(H,24,26,27)
定義日:2023-09-15
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-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile
YJF
YJF
表記:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
組成式:C20 H27 N3 O11 S2
SMILES:OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S](=O)(=O)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C20H27N3O11S2/c24-7-10-14(26)13(23-6-12(21-22-23)36(31,32)9-4-2-1-3-5-9)16(28)19(33-10)35-20-18(30)17(29)15(27)11(8-25)34-20/h1-6,10-11,13-20,24-30H,7-8H2/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
定義日:2023-06-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
U2X
U2X
表記:O-(cyclohexylmethyl)-L-tyrosine
組成式:C16 H23 N O3
SMILES:O=C(O)C(N)Cc2ccc(OCC1CCCCC1)cc2
InChi:InChI=1S/C16H23NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11,17H2,(H,18,19)/t15-/m0/s1
定義日:2012-01-12
最終更新日:2023-11-03
識別子（ID）:O-(cyclohexylmethyl)-L-tyrosine
Y1V
Y1V
表記:(4R)-5-amino-L-leucine
組成式:C6 H14 N2 O2
SMILES:C(O)(=O)C(CC(CN)C)N
InChi:InChI=1S/C6H14N2O2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5+/m1/s1
定義日:2021-01-27
最終更新日:2023-11-03
公開日:2021-08-11
識別子（ID）:(4R)-5-amino-L-leucine
VAL
VAL
表記:VALINE
組成式:C5 H11 N O2
SMILES:O=C(O)C(N)C(C)C
InChi:InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:L-valine
Y1Y
Y1Y
表記:3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid
組成式:C11 H15 N O5 S
SMILES:Cc1sc(cc1)C(=O)OCC(C(N)CC(O)=O)O
InChi:InChI=1S/C11H15NO5S/c1-6-2-3-9(18-6)11(16)17-5-8(13)7(12)4-10(14)15/h2-3,7-8,13H,4-5,12H2,1H3,(H,14,15)/t7-,8+/m0/s1
定義日:2020-06-02
最終更新日:2023-11-03
公開日:2021-06-02
識別子（ID）:3-amino-2,3-dideoxy-5-O-(5-methylthiophene-2-carbonyl)-D-erythro-pentonic acid
KQL
KQL
表記:N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
組成式:C15 H13 F3 N2 O
SMILES:O=C(Nc1cnccc1C)Cc1cccc(c1)C(F)(F)F
InChi:InChI=1S/C15H13F3N2O/c1-10-5-6-19-9-13(10)20-14(21)8-11-3-2-4-12(7-11)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
YJO
YJO
表記:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[oxidanyl(phenyl)-$l^{3}-sulfanyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol
組成式:C20 H28 N3 O10 S2
SMILES:OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)[S+](O)c4ccccc4)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C20H28N3O10S2/c24-7-10-14(26)13(23-6-12(21-22-23)35(31)9-4-2-1-3-5-9)16(28)19(32-10)34-20-18(30)17(29)15(27)11(8-25)33-20/h1-6,10-11,13-20,24-31H,7-8H2/q+1/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+,35-/m1/s1
定義日:2023-06-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:[1-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]-1,2,3-triazol-4-yl]-oxidanyl-phenyl-sulfanium
0TD
0TD
表記:(3S)-3-(methylsulfanyl)-L-aspartic acid
組成式:C5 H9 N O4 S
SMILES:O=C(O)C(N)C(SC)C(=O)O
InChi:InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1
定義日:2012-02-22
最終更新日:2023-11-03
公開日:2012-11-09
識別子（ID）:(3S)-3-(methylsulfanyl)-L-aspartic acid
KQX
KQX
表記:2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C15 H16 N2 O
SMILES:O=C(Nc1cnccc1C)Cc1ccc(C)cc1
InChi:InChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)9-15(18)17-14-10-16-8-7-12(14)2/h3-8,10H,9H2,1-2H3,(H,17,18)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide
VQK
VQK
表記:N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide
組成式:C24 H18 Cl2 N2 O3
SMILES:Clc1cc(OCCc2cccc(NC(=O)C=C)c2)c(Oc2cc(C#N)cc(Cl)c2)cc1
InChi:InChI=1S/C24H18Cl2N2O3/c1-2-24(29)28-20-5-3-4-16(11-20)8-9-30-23-14-18(25)6-7-22(23)31-21-12-17(15-27)10-19(26)13-21/h2-7,10-14H,1,8-9H2,(H,28,29)
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}phenyl)prop-2-enamide
UIA
UIA
表記:[(2~{R})-1-azanylpropan-2-yl]carbamic acid
組成式:C4 H10 N2 O2
SMILES:C[CH](CN)NC(O)=O
InChi:InChI=1S/C4H10N2O2/c1-3(2-5)6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m1/s1
定義日:2019-10-12
最終更新日:2023-11-03
公開日:2021-02-17
識別子（ID）:[(2~{R})-1-azanylpropan-2-yl]carbamic acid
X5H
X5H
表記:(~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid
組成式:C8 H13 N O4
SMILES:OC(=O)CCC=CCNCC(O)=O
InChi:InChI=1S/C8H13NO4/c10-7(11)4-2-1-3-5-9-6-8(12)13/h1,3,9H,2,4-6H2,(H,10,11)(H,12,13)/b3-1+
定義日:2023-05-31
最終更新日:2023-11-03
公開日:2023-06-07
識別子（ID）:(~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid
VQT
VQT
表記:(4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine
組成式:C29 H29 Cl F3 N7 O S
SMILES:FC1CC2(CCCN2C1)COc1nc2c(F)c(c3ccc(F)c4sc(N)nc34)c(Cl)cc2c(n1)N1CC2CCC(N2)C1
InChi:InChI=1S/C29H29ClF3N7OS/c30-19-8-18-23(22(33)21(19)17-4-5-20(32)25-24(17)36-27(34)42-25)37-28(38-26(18)39-11-15-2-3-16(12-39)35-15)41-13-29-6-1-7-40(29)10-14(31)9-29/h4-5,8,14-16,35H,1-3,6-7,9-13H2,(H2,34,36)/t14-,15-,16+,29+/m1/s1
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine
X5P
X5P
表記:4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
組成式:C7 H11 N O5
SMILES:C[CH](NC(=O)CCC(O)=O)C(O)=O
InChi:InChI=1S/C7H11NO5/c1-4(7(12)13)8-5(9)2-3-6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t4-/m0/s1
定義日:2023-05-31
最終更新日:2023-11-03
公開日:2023-06-14
識別子（ID）:4-oxidanylidene-4-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
UIL
UIL
表記:[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid
組成式:C7 H16 N2 O2
SMILES:CC(C)C[CH](CN)NC(O)=O
InChi:InChI=1S/C7H16N2O2/c1-5(2)3-6(4-8)9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m1/s1
定義日:2019-10-14
最終更新日:2023-11-03
公開日:2021-02-17
識別子（ID）:[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid
Y2Y
Y2Y
表記:(3S,4R)-3-amino-4-hydroxyheptanedioic acid
組成式:C7 H13 N O5
SMILES:NC(CC(O)=O)C(CCC(=O)O)O
InChi:InChI=1S/C7H13NO5/c8-4(3-7(12)13)5(9)1-2-6(10)11/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5+/m0/s1
定義日:2020-06-02
最終更新日:2023-11-03
公開日:2021-06-02
識別子（ID）:(3S,4R)-3-amino-4-hydroxyheptanedioic acid
VR0
VR0
表記:N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine
組成式:C8 H17 N5 O3
SMILES:O=C(O)C(N)CCCNC(=[N@H])NC(=O)NC
InChi:InChI=1S/C8H17N5O3/c1-11-8(16)13-7(10)12-4-2-3-5(9)6(14)15/h5H,2-4,9H2,1H3,(H,14,15)(H4,10,11,12,13,16)/t5-/m0/s1
定義日:2010-11-01
最終更新日:2023-11-03
識別子（ID）:N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithine
X60
X60
表記:2-ethyl-L-norvaline
組成式:C7 H15 N O2
SMILES:CCCC(N)(CC)C(=O)O
InChi:InChI=1S/C7H15NO2/c1-3-5-7(8,4-2)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1
定義日:2023-06-02
最終更新日:2023-11-03
公開日:2023-08-16
識別子（ID）:2-ethyl-L-norvaline
VR5
VR5
表記:(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
組成式:C32 H29 F6 N7 O S
SMILES:FC(F)(F)c1cc2c(nc(OCC34CCCN4CC(F)C3)nc2c(F)c1c1ccc(F)c2sc(N)c(C#N)c12)N1CC2CCC(N2)C1
InChi:InChI=1S/C32H29F6N7OS/c33-15-9-31(6-1-7-45(31)11-15)14-46-30-42-26-19(29(43-30)44-12-16-2-3-17(13-44)41-16)8-21(32(36,37)38)24(25(26)35)18-4-5-22(34)27-23(18)20(10-39)28(40)47-27/h4-5,8,15-17,41H,1-3,6-7,9,11-14,40H2/t15-,16-,17+,31+/m1/s1
定義日:2023-09-15
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile
U3X
U3X
表記:4-[(cyclohexylmethyl)amino]-L-phenylalanine
組成式:C16 H24 N2 O2
SMILES:O=C(O)C(N)Cc2ccc(NCC1CCCCC1)cc2
InChi:InChI=1S/C16H24N2O2/c17-15(16(19)20)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h6-9,13,15,18H,1-5,10-11,17H2,(H,19,20)/t15-/m0/s1
定義日:2013-05-06
最終更新日:2023-11-03
公開日:2013-06-19
識別子（ID）:4-[(cyclohexylmethyl)amino]-L-phenylalanine
WPA
WPA
表記:(betaR)-beta-methoxy-L-phenylalanine
組成式:C10 H13 N O3
SMILES:O=C(O)C(N)C(OC)c1ccccc1
InChi:InChI=1S/C10H13NO3/c1-14-9(8(11)10(12)13)7-5-3-2-4-6-7/h2-6,8-9H,11H2,1H3,(H,12,13)/t8-,9+/m0/s1
定義日:2013-06-18
最終更新日:2023-11-03
公開日:2013-09-18
識別子（ID）:(betaR)-beta-methoxy-L-phenylalanine

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