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IIL
IIL
Name:ISO-ISOLEUCINE
Formula:C6 H13 N O2
SMILES:O=C(O)C(N)C(C)CC
InChi:InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1
Synonyms:ALLO-ISOLEUCINE
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:L-alloisoleucine
L1F
L1F
Name:N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:C20 H20 N2 O4
SMILES:COc1ccccc1OCCN(C)C(=O)C1=CC(=O)Nc2ccccc21
InChi:InChI=1S/C20H20N2O4/c1-22(11-12-26-18-10-6-5-9-17(18)25-2)20(24)15-13-19(23)21-16-8-4-3-7-14(15)16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
L2I
L2I
Name:(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide
Formula:C16 H19 N3 O
SMILES:O=C(Nc1cccnc1)C(CCNC)c1ccccc1
InChi:InChI=1S/C16H19N3O/c1-17-11-9-15(13-6-3-2-4-7-13)16(20)19-14-8-5-10-18-12-14/h2-8,10,12,15,17H,9,11H2,1H3,(H,19,20)/t15-/m0/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide
L2O
L2O
Name:(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid
Formula:C7 H15 N O3
SMILES:O=C(O)C(O)C(N)CC(C)C
InChi:InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
Definition date:2010-10-09
Last modified:2023-11-03
Identifier:(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid
L3I
L3I
Name:2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide
Formula:C16 H17 Cl N2 O
SMILES:O=C(Nc1cnccc1C)C(C)(C)c1cccc(Cl)c1
InChi:InChI=1S/C16H17ClN2O/c1-11-7-8-18-10-14(11)19-15(20)16(2,3)12-5-4-6-13(17)9-12/h4-10H,1-3H3,(H,19,20)
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide
L3O
L3O
Name:(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid
Formula:C7 H15 N O3
SMILES:O=C(O)C(O)C(N)CC(C)C
InChi:InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
Definition date:2009-05-03
Last modified:2023-11-03
Identifier:(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid
L3R
L3R
Name:(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:C24 H25 F O5 S
SMILES:Cc1ccc(cc1Cc2sc(cc2)c3ccc(F)cc3)[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O
InChi:InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
Synonyms:Canagliflozin
Definition date:2022-11-09
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
L4N
L4N
Name:(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide
Formula:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)C1CCC2(CC2)C1
InChi:InChI=1S/C14H18N2O/c1-10-3-7-15-9-12(10)16-13(17)11-2-4-14(8-11)5-6-14/h3,7,9,11H,2,4-6,8H2,1H3,(H,16,17)/t11-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide
L4R
L4R
Name:Fmoc-(R)-2-(7-octenyl)alanine
Formula:C11 H21 N O2
SMILES:C[C](N)(CCCCCCC=C)C(O)=O
InChi:InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)/t11-/m1/s1
Definition date:2022-06-16
Last modified:2023-11-03
Release date:2022-07-20
Identifier:(2~{R})-2-azanyl-2-methyl-dec-9-enoic acid
L4U
L4U
Name:(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide
Formula:C13 H20 N2 O
SMILES:O=C(Nc1cnccc1C)CC(C)C(C)C
InChi:InChI=1S/C13H20N2O/c1-9(2)11(4)7-13(16)15-12-8-14-6-5-10(12)3/h5-6,8-9,11H,7H2,1-4H3,(H,15,16)/t11-/m0/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide
L5I
L5I
Name:(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide
Formula:C13 H18 N2 O
SMILES:O=C(Nc1cnccc1C)C(C)CC1CC1
InChi:InChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide
L6R
L6R
Name:(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide
Formula:C17 H19 Cl N2 O
SMILES:O=C(Nc1cnccc1C)C(CCC)c1cccc(Cl)c1
InChi:InChI=1S/C17H19ClN2O/c1-3-5-15(13-6-4-7-14(18)10-13)17(21)20-16-11-19-9-8-12(16)2/h4,6-11,15H,3,5H2,1-2H3,(H,20,21)/t15-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide
L7F
L7F
Name:2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide
Formula:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)CC12CC2CCC1
InChi:InChI=1S/C14H18N2O/c1-10-4-6-15-9-12(10)16-13(17)8-14-5-2-3-11(14)7-14/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)/t11-,14+/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide
L7Q
L7Q
Name:3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide
Formula:C17 H20 N2 O
SMILES:O=C(Nc1cnccc1C)CC(C)(C)c1ccccc1
InChi:InChI=1S/C17H20N2O/c1-13-9-10-18-12-15(13)19-16(20)11-17(2,3)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,19,20)
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide
L7V
L7V
Name:1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
Formula:C16 H18 N4 O2
SMILES:O=C(Cc1cccnc1)N1CCCC1c1nc(on1)C1CC1
InChi:InChI=1S/C16H18N4O2/c21-14(9-11-3-1-7-17-10-11)20-8-2-4-13(20)15-18-16(22-19-15)12-5-6-12/h1,3,7,10,12-13H,2,4-6,8-9H2/t13-/m0/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
L83
L83
Name:N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
Formula:C14 H14 Cl N3 O
SMILES:Nc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1
InChi:InChI=1S/C14H14ClN3O/c1-9-5-6-17-14(16)13(9)18-12(19)8-10-3-2-4-11(15)7-10/h2-7H,8H2,1H3,(H2,16,17)(H,18,19)
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
L8F
L8F
Name:N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
Formula:C19 H26 N4 O2
SMILES:CC(=O)NCCc1c[NH]c2c(CN3CCN(CC3)C(C)=O)cccc21
InChi:InChI=1S/C19H26N4O2/c1-14(24)20-7-6-16-12-21-19-17(4-3-5-18(16)19)13-22-8-10-23(11-9-22)15(2)25/h3-5,12,21H,6-11,13H2,1-2H3,(H,20,24)
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
L8O
L8O
Name:1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Formula:C18 H19 N O
SMILES:Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O
InChi:InChI=1S/C18H19NO/c1-13-6-5-8-15(10-13)18-12-19(14(2)20)11-16-7-3-4-9-17(16)18/h3-10,18H,11-12H2,1-2H3/t18-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
0UZ
0UZ
Name:(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
Formula:C8 H8 Cl N O3
SMILES:Clc1cc(ccc1O)C(C(=O)O)N
InChi:InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1
Definition date:2012-06-27
Last modified:2023-11-03
Identifier:(2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid
L93
L93
Name:6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:C20 H19 F N2 O4
SMILES:COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21
InChi:InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
L9F
L9F
Name:(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
Formula:C14 H10 Cl N3 O2
SMILES:Clc1cccc(c1)N1C(=O)C(NC1=O)c1cccnc1
InChi:InChI=1S/C14H10ClN3O2/c15-10-4-1-5-11(7-10)18-13(19)12(17-14(18)20)9-3-2-6-16-8-9/h1-8,12H,(H,17,20)/t12-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
L9O
L9O
Name:(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide
Formula:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)C1CCC21CCC2
InChi:InChI=1S/C14H18N2O/c1-10-4-8-15-9-12(10)16-13(17)11-3-7-14(11)5-2-6-14/h4,8-9,11H,2-3,5-7H2,1H3,(H,16,17)/t11-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide
0W6
0W6
Name:(4S)-4-aminopentanoic acid
Formula:C5 H11 N O2
SMILES:O=C(O)CCC(N)C
InChi:InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Synonyms:(2E,4S)-4-aminopent-2-enoic acid, Bound form
Definition date:2012-07-19
Last modified:2023-11-03
Release date:2012-10-19
Identifier:(4S)-4-aminopentanoic acid
LAC
LAC
Name:LACTIC ACID
Formula:C3 H6 O3
SMILES:O=C(O)C(O)C
InChi:InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(2R)-2-hydroxypropanoic acid
LAL
LAL
Name:N,N-DIMETHYL-L-ALANINE
Formula:C5 H11 N O2
SMILES:O=C(O)C(N(C)C)C
InChi:InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1
Definition date:2003-10-01
Last modified:2023-11-03
Identifier:N,N-dimethyl-L-alanine

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數據於2024-07-10公開中

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