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81T
81T
Name:~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide
Formula:C10 H20 N2 O2
SMILES:CC(=O)N[CH]1CC(C)(C)N(O)C1(C)C
InChi:InChI=1S/C10H20N2O2/c1-7(13)11-8-6-9(2,3)12(14)10(8,4)5/h8,14H,6H2,1-5H3,(H,11,13)/t8-/m1/s1
Definition date:2021-09-27
Last modified:2024-09-27
Release date:2022-07-20
Identifier:~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide
KTI
KTI
Name:(E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide
Formula:C16 H14 Cl2 N2 O4 S
SMILES:COc1ccc(NC(=O)C=C(Cl)[S](=O)(=O)Cc2ccccc2Cl)nc1
InChi:InChI=1S/C16H14Cl2N2O4S/c1-24-12-6-7-15(19-9-12)20-16(21)8-14(18)25(22,23)10-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3,(H,19,20,21)/b14-8-
Synonyms:(E)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfonyl]-N-(6-methoxypyridin-2-yl)prop-2-enamide (reacted form of)
Definition date:2022-06-07
Last modified:2024-09-27
Release date:2023-06-14
Identifier:(~{E})-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-~{N}-(5-methoxypyridin-2-yl)prop-2-enamide
821
821
Name:[4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET IC ACID
Formula:C33 H33 N3 O6
SMILES:O=C(O)Cc1ccc(cc1C=O)C=C(/NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:InChI=1S/C33H33N3O6/c1-22(38)34-30(18-24-12-15-27(19-31(39)40)28(17-24)21-37)32(41)35-29-9-5-6-16-36(33(29)42)20-23-10-13-26(14-11-23)25-7-3-2-4-8-25/h2-4,7-8,10-15,17-18,21,29H,5-6,9,16,19-20H2,1H3,(H,34,38)(H,35,41)(H,39,40)/b30-18-/t29-/m0/s1
Synonyms:RU82129
Definition date:2003-06-20
Last modified:2024-09-27
Identifier:{4-[(1Z)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-en-1-yl]-2-formylphenyl}acetic acid
823
823
Name:N,N-bis(3-sulfanylpropyl)-L-asparagine
Formula:C10 H20 N2 O3 S2
SMILES:O=C(O)C(N)CC(=O)N(CCCS)CCCS
InChi:InChI=1S/C10H20N2O3S2/c11-8(10(14)15)7-9(13)12(3-1-5-16)4-2-6-17/h8,16-17H,1-7,11H2,(H,14,15)/t8-/m0/s1
Definition date:2014-02-19
Last modified:2024-09-27
Release date:2014-09-24
Identifier:N,N-bis(3-sulfanylpropyl)-L-asparagine
82Q
82Q
Name:(2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide
Formula:C23 H22 N2 O2
SMILES:CC(=O)N1C[CH](C[CH]1C(=O)Nc2cccc3ccccc23)c4ccccc4
InChi:InChI=1S/C23H22N2O2/c1-16(26)25-15-19(17-8-3-2-4-9-17)14-22(25)23(27)24-21-13-7-11-18-10-5-6-12-20(18)21/h2-13,19,22H,14-15H2,1H3,(H,24,27)/t19-,22+/m0/s1
Definition date:2021-09-28
Last modified:2024-09-27
Release date:2022-10-05
Identifier:(2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide
KUL
KUL
Name:1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione
Formula:C11 H10 F N O4 S
SMILES:C[S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O
InChi:InChI=1S/C11H10FNO4S/c1-18(16,17)7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3
Synonyms:1-(2-Fluoro-5-methylsulfonylphenyl)pyrrole-2,5-dione (reacted form of)
Definition date:2022-06-07
Last modified:2024-09-27
Release date:2023-06-14
Identifier:1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione
KUS
KUS
Name:(Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide
Formula:C10 H8 Cl N O2
SMILES:Clc1ccc(NC(=O)C=CC=O)cc1
InChi:InChI=1S/C10H8ClNO2/c11-8-3-5-9(6-4-8)12-10(14)2-1-7-13/h1-7H,(H,12,14)/b2-1-
Synonyms:N1-(4-chlorophenyl)-2-butenediamide (reacted form of)
Definition date:2022-06-07
Last modified:2024-09-27
Release date:2023-06-14
Identifier:(~{Z})-~{N}-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide
KUT
KUT
Name:KUT [2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]
Formula:C35 H63 N3 O12
SMILES:OC(=O)CCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC=O)C(O)=O
InChi:InChI=1S/C35H63N3O12/c39-21-24-49-26-25-47-23-20-37-33(42)29-50-28-27-48-22-19-36-31(40)18-17-30(35(45)46)38-32(41)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-34(43)44/h21,30H,1-20,22-29H2,(H,36,40)(H,37,42)(H,38,41)(H,43,44)(H,45,46)/t30-/m0/s1
Definition date:2019-06-28
Last modified:2024-09-27
Release date:2020-07-15
Identifier:18-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-[2-oxidanylidene-2-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentan-2-yl]amino]-18-oxidanylidene-octadecanoic acid
KV6
KV6
Name:(3R)-3-aminoheptadecanoic acid
Formula:C17 H35 N O2
SMILES:NC(CCCCCCCCCCCCCC)CC(=O)O
InChi:InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1
Synonyms:N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl )-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl ]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
Definition date:2022-02-16
Last modified:2024-09-27
Release date:2023-03-01
Identifier:(3R)-3-aminoheptadecanoic acid
KXL
KXL
Name:(2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide
Formula:C22 H28 N4 O4
SMILES:CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC(=O)NCCc2ccccn2
InChi:InChI=1S/C22H28N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18-19,27H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1
Definition date:2022-06-07
Last modified:2024-09-27
Release date:2023-11-29
Identifier:(2~{S})-~{N}-[(2~{S})-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-~{N}'-(2-pyridin-2-ylethyl)butanediamide
KXV
KXV
Name:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ac etic acid
Formula:C15 H17 N3 O5 S
SMILES:NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2ccc(c(c2)OC)O
InChi:InChI=1S/C15H17N3O5S/c1-23-12-5-8(2-3-11(12)19)4-10-15(22)18(6-13(20)21)14(17-10)9(16)7-24/h2-5,9,19,24H,6-7,16H2,1H3,(H,20,21)/b10-4-/t9-/m0/s1
Synonyms:CHROMOPHORE (CYS-TYR-GLY)-3-OMeY
Definition date:2019-01-23
Last modified:2024-09-27
Release date:2019-06-12
Identifier:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KY4
KY4
Name:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C14 H13 F2 N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2c(F)c(F)c(cc2)O
InChi:InChI=1S/C14H13F2N3O4S/c15-11-6(1-2-9(20)12(11)16)3-8-14(23)19(4-10(21)22)13(18-8)7(17)5-24/h1-3,7,20,24H,4-5,17H2,(H,21,22)/b8-3-/t7-/m0/s1
Synonyms:CHROMOPHORE (CYS-TYR-GLY)-2,3-F
Definition date:2019-01-23
Last modified:2024-09-27
Release date:2019-06-12
Identifier:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(2,3-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KY7
KY7
Name:{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C14 H14 N4 O6 S
SMILES:NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)[N+](=O)[O-]
InChi:InChI=1S/C14H14N4O6S/c15-8(6-25)13-16-9(14(22)17(13)5-12(20)21)3-7-1-2-11(19)10(4-7)18(23)24/h1-4,8,19,25H,5-6,15H2,(H,20,21)/b9-3-/t8-/m1/s1
Synonyms:CHROMOPHORE (CYS-TYR-GLY)-3-NO2
Definition date:2019-01-23
Last modified:2024-09-27
Release date:2019-06-12
Identifier:{(4Z)-2-[(1S)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KYN
KYN
Name:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
Formula:C10 H12 N2 O3
SMILES:O=C(c1ccccc1N)CC(C(=O)O)N
InChi:InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
Synonyms:L-KYNURENINE
Definition date:2004-05-16
Last modified:2024-09-27
Identifier:(2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
KZ0
KZ0
Name:2,4,6-tris(chloromethyl)-1,3,5-triazine
Formula:C6 H6 Cl3 N3
SMILES:ClCc1nc(CCl)nc(CCl)n1
InChi:InChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2
Synonyms:Chemical crosslinker
Definition date:2022-06-08
Last modified:2024-09-27
Release date:2023-06-28
Identifier:2,4,6-tris(chloromethyl)-1,3,5-triazine
KZ1
KZ1
Name:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C14 H12 F3 N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2c(c(c(c(c2)F)O)F)F
InChi:InChI=1S/C14H12F3N3O4S/c15-6-1-5(10(16)11(17)12(6)23)2-8-14(24)20(3-9(21)22)13(19-8)7(18)4-25/h1-2,7,23,25H,3-4,18H2,(H,21,22)/b8-2-/t7-/m0/s1
Synonyms:CHROMOPHORE (CYS-TYR-GLY)-(2,3,5-F3Y)
Definition date:2019-01-25
Last modified:2024-09-27
Release date:2019-06-12
Identifier:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-5-oxo-4-[(2,3,5-trifluoro-4-hydroxyphenyl)methylidene]-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZ4
KZ4
Name:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C14 H14 Br N3 O4 S
SMILES:NC(CS)C=1N(C(=O)C(N=1)=[C@H]c2cc(c(cc2)O)Br)CC(=O)O
InChi:InChI=1S/C14H14BrN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1
Synonyms:CHROMOPHORE (CYS-TYR-GLY)3-Br
Definition date:2019-01-25
Last modified:2024-09-27
Release date:2019-06-12
Identifier:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZ7
KZ7
Name:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C14 H14 Cl N3 O4 S
SMILES:NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2ccc(c(c2)Cl)O
InChi:InChI=1S/C14H14ClN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1
Synonyms:CHROMOPHORE (CYS-TYR-GLY)3-Cl
Definition date:2019-01-25
Last modified:2024-09-27
Release date:2019-06-12
Identifier:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZG
KZG
Name:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}aceti c acid
Formula:C14 H14 I N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(c(cc2)O)I
InChi:InChI=1S/C14H14IN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/b10-4-/t9-/m0/s1
Synonyms:CHROMOPHORE (CYS-TYR-GLY)3-I
Definition date:2019-01-28
Last modified:2024-09-27
Release date:2019-06-12
Identifier:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-iodophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZV
KZV
Name:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}ace tic acid
Formula:C14 H14 F N3 O4 S
SMILES:NC(CS)C=1N(CC(=O)O)C(=O)C(N=1)=[C@H]c2cc(F)c(cc2)O
InChi:InChI=1S/C14H14FN3O4S/c15-8-3-7(1-2-11(8)19)4-10-14(22)18(5-12(20)21)13(17-10)9(16)6-23/h1-4,9,19,23H,5-6,16H2,(H,20,21)/t9-/m0/s1
Synonyms:CHROMOPHORE (CYS-TYR-GLY)-3F
Definition date:2019-01-28
Last modified:2024-09-27
Release date:2019-06-12
Identifier:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
KZY
KZY
Name:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C15 H17 N3 O4 S
SMILES:NC(CS)C1=N/C(C(N1CC(=O)O)=O)=Cc2cc(c(cc2)O)C
InChi:InChI=1S/C15H17N3O4S/c1-8-4-9(2-3-12(8)19)5-11-15(22)18(6-13(20)21)14(17-11)10(16)7-23/h2-5,10,19,23H,6-7,16H2,1H3,(H,20,21)/b11-5-/t10-/m0/s1
Synonyms:CHROMOPHORE (CYS-TYR-GLY)3-CH3
Definition date:2019-01-28
Last modified:2024-09-27
Release date:2019-06-12
Identifier:{(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
L0S
L0S
Name:methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate
Formula:C8 H19 N2 O2 P
SMILES:COP(/N=C(/N(CC)CC)C)(=O)C
InChi:InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1
Synonyms:A-232
Definition date:2019-01-30
Last modified:2024-09-27
Release date:2020-07-01
Identifier:methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate
L1M
L1M
Name:ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate
Formula:C8 H19 N2 O2 P
SMILES:C(C)N(/C(C)=N/P(OCC)=O)CC
InChi:InChI=1S/C8H19N2O2P/c1-5-10(6-2)8(4)9-13(11)12-7-3/h13H,5-7H2,1-4H3/b9-8+
Definition date:2019-01-31
Last modified:2024-09-27
Release date:2020-07-01
Identifier:ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate
L2F
L2F
Name:N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol
Formula:C27 H31 N3 O4 S
SMILES:CC[CH](C)[CH](N[S](=O)(=O)c1cccc2ccccc12)C(=O)N[CH](CO)Cc3c[nH]c4ccccc34
InChi:InChI=1S/C27H31N3O4S/c1-3-18(2)26(30-35(33,34)25-14-8-10-19-9-4-5-12-23(19)25)27(32)29-21(17-31)15-20-16-28-24-13-7-6-11-22(20)24/h4-14,16,18,21,26,28,30-31H,3,15,17H2,1-2H3,(H,29,32)/t18-,21-,26-/m0/s1
Synonyms:(2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
Definition date:2022-06-14
Last modified:2024-09-27
Release date:2023-07-05
Identifier:(2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
L2Y
L2Y
Name:(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride
Formula:C7 H16 F N2 O P
SMILES:CCN(CC)C(C)=NP(C)(=O)F
InChi:InChI=1S/C7H16FN2OP/c1-5-10(6-2)7(3)9-12(4,8)11/h5-6H2,1-4H3/b9-7+/t12-/m0/s1
Synonyms:A-230 (Nerve agent)
Definition date:2019-02-01
Last modified:2024-09-27
Release date:2020-07-01
Identifier:(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride

227111

数据于2024-11-06公开中

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