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5PV
5PV
表記:5-PHENYLVALERIC ACID
組成式:C11 H14 O2
SMILES:O=C(O)CCCCc1ccccc1
InChi:InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:5-phenylpentanoic acid
NW0
NW0
表記:3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
組成式:C15 H15 Cl N2 O
SMILES:O=C(Nc1cnccc1C)CCc1cccc(Cl)c1
InChi:InChI=1S/C15H15ClN2O/c1-11-7-8-17-10-14(11)18-15(19)6-5-12-3-2-4-13(16)9-12/h2-4,7-10H,5-6H2,1H3,(H,18,19)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
OBF
OBF
表記:(2S)-2-amino-4,4-difluorobutanoic acid
組成式:C4 H7 F2 N O2
SMILES:FC(F)CC(N)C(=O)O
InChi:InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1
定義日:2008-03-14
最終更新日:2023-11-03
識別子（ID）:(2S)-2-amino-4,4-difluorobutanoic acid
03Y
03Y
表記:2-methyl-L-cysteine
組成式:C4 H9 N O2 S
SMILES:O=C(O)C(N)(C)CS
InChi:InChI=1S/C4H9NO2S/c1-4(5,2-8)3(6)7/h8H,2,5H2,1H3,(H,6,7)/t4-/m0/s1
定義日:2011-05-04
最終更新日:2023-11-03
識別子（ID）:2-methyl-L-cysteine
VP2
VP2
表記:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
組成式:C20 H17 F2 N3 O3
SMILES:FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26)
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
PZ6
PZ6
表記:(4S)-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-/m1/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）:(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
RZF
RZF
表記:2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
組成式:C24 H20 Cl2 N4 O3
SMILES:Clc1cc2c(cc1)cncc2N1CCC2(CN(CC(=O)NC)C(=O)c3ccc(Cl)cc32)C1=O
InChi:InChI=1S/C24H20Cl2N4O3/c1-27-21(31)12-29-13-24(19-9-16(26)4-5-17(19)22(29)32)6-7-30(23(24)33)20-11-28-10-14-2-3-15(25)8-18(14)20/h2-5,8-11H,6-7,12-13H2,1H3,(H,27,31)/t24-/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）:2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
STA
STA
表記:STATINE
組成式:C8 H17 N O3
SMILES:O=C(O)CC(O)C(N)CC(C)C
InChi:InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid
OBO
OBO
表記:2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide
組成式:C14 H11 Cl N4 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2nc[NH]c12
InChi:InChI=1S/C14H11ClN4O/c15-10-3-1-2-9(4-10)5-13(20)19-12-7-16-6-11-14(12)18-8-17-11/h1-4,6-8H,5H2,(H,17,18)(H,19,20)
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-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide
UU4
UU4
表記:(2S)-2-amino-4-(L-serylamino)butanoic acid
組成式:C7 H15 N3 O4
SMILES:O=C(NCCC(C(=O)O)N)C(N)CO
InChi:InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1
定義日:2012-11-14
最終更新日:2023-11-03
公開日:2013-08-21
識別子（ID）:(2S)-2-amino-4-(L-serylamino)butanoic acid
UU5
UU5
表記:(2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid
組成式:C6 H10 N2 O4
SMILES:O=C(O)C(N)CCNC(=O)C=O
InChi:InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-8-5(10)3-9/h3-4H,1-2,7H2,(H,8,10)(H,11,12)/t4-/m0/s1
定義日:2012-11-12
最終更新日:2023-11-03
公開日:2013-08-21
識別子（ID）:(2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid
T8L
T8L
表記:Thio-phosohothreonine
組成式:C4 H10 N O5 P S
SMILES:C[CH](O[P](O)(S)=O)[CH](N)C(O)=O
InChi:InChI=1S/C4H10NO5PS/c1-2(3(5)4(6)7)10-11(8,9)12/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,12)/t2-,3+/m1/s1
定義日:2017-12-22
最終更新日:2023-11-03
公開日:2018-01-03
識別子（ID）:(2~{S},3~{R})-2-azanyl-3-[oxidanyl(sulfanyl)phosphoryl]oxy-butanoic acid
OBS
OBS
表記:(Z)-N^6-[(4S,5R)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-1-HYDROXYDIHYDRO-2H-THIOPYRANIUM-3(4H)-YLIDENE]-L-LYSINE
組成式:C16 H26 N2 O7 S
SMILES:O=S1C/C(=N/CCCCC(C(=O)O)N)C(C(CCC(=O)O)C1)CC(=O)O
InChi:InChI=1S/C16H26N2O7S/c17-12(16(23)24)3-1-2-6-18-13-9-26(25)8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+,26+/m1/s1
別名:2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-1-OXO-TETRAHYDRO-1LAMBDA4-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID
定義日:2005-09-11
最終更新日:2023-11-03
識別子（ID）:(E)-N~6~-[(1S,4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)-1-oxidodihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine
VPB
VPB
表記:(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
組成式:C22 H21 N3 O4
SMILES:O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCOCC1
InChi:InChI=1S/C22H21N3O4/c23-15-17-14-18-19(6-3-8-25(18)16-17)29-21-5-2-1-4-20(21)28-11-7-22(26)24-9-12-27-13-10-24/h1-6,8,14,16H,7,9-13H2
定義日:2023-09-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
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
04D
04D
表記:(2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol
組成式:C9 H21 N O2
SMILES:OCC(C(O)C(N)CC(C)C)C
InChi:InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9-/m1/s1
定義日:2012-01-10
最終更新日:2023-11-03
識別子（ID）:(2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol
PKW
PKW
表記:(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C17 H15 Cl N4 O2
SMILES:Cn1cnc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12
InChi:InChI=1S/C17H15ClN4O2/c1-22-9-20-13-7-19-8-14(16(13)22)21-17(23)11-4-5-24-15-3-2-10(18)6-12(11)15/h2-3,6-9,11H,4-5H2,1H3,(H,21,23)/t11-/m1/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)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
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
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
RZU
RZU
表記:1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide
組成式:C26 H23 Cl N4 O3
SMILES:CNC(=O)C1(CC1)N1CC2(CCN(C2=O)c2cncc3ccccc32)c2cc(Cl)ccc2C1=O
InChi:InChI=1S/C26H23ClN4O3/c1-28-23(33)26(8-9-26)31-15-25(20-12-17(27)6-7-19(20)22(31)32)10-11-30(24(25)34)21-14-29-13-16-4-2-3-5-18(16)21/h2-7,12-14H,8-11,15H2,1H3,(H,28,33)/t25-/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）:1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide
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
04Q
04Q
表記:N-benzylglycine
組成式:C9 H11 N O2
SMILES:O=C(O)CNCc1ccccc1
InChi:InChI=1S/C9H11NO2/c11-9(12)7-10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
定義日:2012-06-22
最終更新日:2023-11-03
識別子（ID）:N-benzylglycine
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
VPV
VPV
表記:(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
組成式:C13 H22 N2 O7
SMILES:C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O)O
InChi:InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9+/m1/s1
定義日:2020-09-02
最終更新日:2023-11-03
公開日:2021-09-22
識別子（ID）:(2E,4R)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
04X
04X
表記:(2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid
組成式:C11 H18 N2 O3
SMILES:O=C(O)C1NCC(=CC1)CN2CCOCC2
InChi:InChI=1S/C11H18N2O3/c14-11(15)10-2-1-9(7-12-10)8-13-3-5-16-6-4-13/h1,10,12H,2-8H2,(H,14,15)/t10-/m0/s1
定義日:2014-06-19
最終更新日:2023-11-03
公開日:2014-07-30
識別子（ID）:(2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid

223532

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