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RL2
RL2
Name:N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
Formula:C19 H28 N2 O5
SMILES:O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CCc1ccccc1
InChi:InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16-/m0/s1
Synonyms:WRR-112
Definition date:2000-05-03
Last modified:2024-09-27
Identifier:(3S)-3-hydroxy-4-({(2S)-1-[(3-methylbutyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-4-oxobutanoic acid
1T4
1T4
Name:N-(pyren-1-yl)acetamide
Formula:C18 H13 N O
SMILES:O=C(Nc4ccc2ccc1cccc3c1c2c4cc3)C
InChi:InChI=1S/C18H13NO/c1-11(20)19-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3,(H,19,20)
Definition date:2013-05-25
Last modified:2024-09-27
Release date:2014-05-21
Identifier:N-(pyren-1-yl)acetamide
1TQ
1TQ
Name:6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN
Formula:C12 H13 N3 O4
SMILES:O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)NC=O
InChi:InChI=1S/C12H13N3O4/c13-8(12(18)19)3-6-4-14-10-7(6)1-2-9(11(10)17)15-5-16/h1-2,4-5,8,14,17H,3,13H2,(H,15,16)(H,18,19)/t8-/m0/s1
Definition date:2006-08-22
Last modified:2024-09-27
Identifier:6-(formylamino)-7-hydroxy-L-tryptophan
1TX
1TX
Name:(2S)-2-amino-7-methoxy-7-oxoheptanoic acid
Formula:C8 H15 N O4
SMILES:O=C(OC)CCCCC(C(=O)O)N
InChi:InChI=1S/C8H15NO4/c1-13-7(10)5-3-2-4-6(9)8(11)12/h6H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
Definition date:2013-06-17
Last modified:2024-09-27
Release date:2013-12-04
Identifier:(2S)-2-amino-7-methoxy-7-oxoheptanoic acid
1TY
1TY
Name:3-{(3E)-4-HYDROXY-6-OXO-3-[(2-PHENYLETHYL)IMINO]CYCLOHEXA-1,4-DIEN-1-YL}ALANINE
Formula:C17 H18 N2 O4
SMILES:O=C2C=C(O)/C(=N/CCc1ccccc1)C=C2CC(C(=O)O)N
InChi:InChI=1S/C17H18N2O4/c18-13(17(22)23)8-12-9-14(16(21)10-15(12)20)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,13,21H,6-8,18H2,(H,22,23)/b19-14+/t13-/m0/s1
Definition date:2005-07-07
Last modified:2024-09-27
Identifier:3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine
1U8
1U8
Name:(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
Formula:C14 H17 N O5
SMILES:O=C(O)CC(N)C(=O)COC(=O)c1c(cccc1C)C
InChi:InChI=1S/C14H17NO5/c1-8-4-3-5-9(2)13(8)14(19)20-7-11(16)10(15)6-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,17,18)/t10-/m0/s1
Definition date:2013-03-28
Last modified:2024-09-27
Release date:2013-06-12
Identifier:(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
Q1B
Q1B
Name:5-(trifluoromethyloxy)-1,3-dihydroindol-2-one
Formula:C9 H6 F3 N O2
SMILES:FC(F)(F)Oc1ccc2NC(=O)Cc2c1
InChi:InChI=1S/C9H6F3NO2/c10-9(11,12)15-6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14)
Definition date:2020-05-05
Last modified:2024-09-27
Release date:2021-05-12
Identifier:5-(trifluoromethyloxy)-1,3-dihydroindol-2-one
Q1N
Q1N
Name:(2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide
Formula:C20 H27 N7 O5 S
SMILES:Cc1cc(CC(=O)N[CH](C[S](=O)(=O)N2CCN(CC2)c3ccccn3)C(=O)NCC=N)on1
InChi:InChI=1S/C20H27N7O5S/c1-15-12-16(32-25-15)13-19(28)24-17(20(29)23-7-5-21)14-33(30,31)27-10-8-26(9-11-27)18-4-2-3-6-22-18/h2-6,12,17,21H,7-11,13-14H2,1H3,(H,23,29)(H,24,28)/b21-5-/t17-/m0/s1
Definition date:2020-05-05
Last modified:2024-09-27
Release date:2021-05-12
Identifier:(2~{R})-~{N}-(2-azanylideneethyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethanoylamino]-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-propanamide
1VL
1VL
Name:(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one
Formula:C21 H23 N3 O4
SMILES:O=C2N(c1ccccc1C2O)CN3CCN(CC3)Cc4ccc5OCOc5c4
InChi:InChI=1S/C21H23N3O4/c25-20-16-3-1-2-4-17(16)24(21(20)26)13-23-9-7-22(8-10-23)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11,20,25H,7-10,12-14H2/t20-/m0/s1
Definition date:2013-06-20
Last modified:2024-09-27
Release date:2014-04-16
Identifier:(3S)-1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-3-hydroxy-1,3-dihydro-2H-indol-2-one
Q2A
Q2A
Name:3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
Formula:C25 H24 F I N6 O4 S2
SMILES:C(C2CN(Cc1cccc(S(=O)(F)=O)c1)CCC2)n4c3ncnc(c3nc4Sc5c(cc6c(c5)OCO6)I)N
InChi:InChI=1S/C25H24FIN6O4S2/c26-39(34,35)17-5-1-3-15(7-17)10-32-6-2-4-16(11-32)12-33-24-22(23(28)29-13-30-24)31-25(33)38-21-9-20-19(8-18(21)27)36-14-37-20/h1,3,5,7-9,13,16H,2,4,6,10-12,14H2,(H2,28,29,30)/t16-/m0/s1
Definition date:2019-09-10
Last modified:2024-09-27
Release date:2020-02-19
Identifier:3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride
Q2E
Q2E
Name:(2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal
Formula:C12 H14 N2 O2 S
SMILES:CSc1[nH]c2ccccc2c1C[CH](N)C(O)=O
InChi:InChI=1S/C12H14N2O2S/c1-17-11-8(6-9(13)12(15)16)7-4-2-3-5-10(7)14-11/h2-5,9,14H,6,13H2,1H3,(H,15,16)/t9-/m0/s1
Definition date:2020-05-07
Last modified:2024-09-27
Release date:2021-05-19
Identifier:(2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanoic acid
1VR
1VR
Name:(3R)-3-amino-4-methylpentanoic acid
Formula:C6 H13 N O2
SMILES:O=C(O)CC(N)C(C)C
InChi:InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
Synonyms:beta-3-homovaline
Definition date:2013-06-21
Last modified:2024-09-27
Release date:2013-09-04
Identifier:(3R)-3-amino-4-methylpentanoic acid
Q2J
Q2J
Name:3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid
Formula:C22 H21 I N6 O4 S2
SMILES:C(NCc1cc(ccc1)S(O)=O)CCn3c(nc2c(N)ncnc23)Sc5cc4OCOc4cc5I
InChi:InChI=1S/C22H21IN6O4S2/c23-15-8-16-17(33-12-32-16)9-18(15)34-22-28-19-20(24)26-11-27-21(19)29(22)6-2-5-25-10-13-3-1-4-14(7-13)35(30)31/h1,3-4,7-9,11,25H,2,5-6,10,12H2,(H,30,31)(H2,24,26,27)
Definition date:2019-09-10
Last modified:2024-09-27
Release date:2020-02-19
Identifier:3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid
Q2K
Q2K
Name:2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid
Formula:C9 H11 N3 O4 S
SMILES:CSCCC(=N)C1=NC(=O)C(=O)N1CC(O)=O
InChi:InChI=1S/C9H11N3O4S/c1-17-3-2-5(10)7-11-8(15)9(16)12(7)4-6(13)14/h10H,2-4H2,1H3,(H,13,14)/b10-5-
Synonyms:CHROMOPHORE (MET-TYR-GLY)
Definition date:2022-10-11
Last modified:2024-09-27
Release date:2023-02-15
Identifier:2-[2-(3-methylsulfanylpropanimidoyl)-4,5-bis(oxidanylidene)imidazol-1-yl]ethanoic acid
1W4
1W4
Name:S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
Formula:C25 H24 F N O2 S
SMILES:O=C(Sc1ccc(F)cc1)c3cc(C=Cc2cc(c(O)c(c2)C)C)cc(N(C)C)c3
InChi:InChI=1S/C25H24FNO2S/c1-16-11-18(12-17(2)24(16)28)5-6-19-13-20(15-22(14-19)27(3)4)25(29)30-23-9-7-21(26)8-10-23/h5-15,28H,1-4H3/b6-5+
Definition date:2013-06-27
Last modified:2024-09-27
Release date:2013-10-02
Identifier:S-(4-fluorophenyl) 3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzenecarbothioate
Q2X
Q2X
Name:4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide
Formula:C21 H17 Cl N2 O2
SMILES:Clc1ccc(cc1C(=O)Nc2ccccc2)C(=O)NCc3ccccc3
InChi:InChI=1S/C21H17ClN2O2/c22-19-12-11-16(20(25)23-14-15-7-3-1-4-8-15)13-18(19)21(26)24-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,25)(H,24,26)
Definition date:2022-10-12
Last modified:2024-09-27
Release date:2022-12-28
Identifier:4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide
Q2Y
Q2Y
Name:4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID
Formula:C27 H25 N5 O5 S
SMILES:O=C(NC(C(=O)C)CC(=O)O)Cc1sc(cc1)CNC(=O)c4ccc(Nc2nc3c(nc2)cccc3)cc4
InChi:InChI=1S/C27H25N5O5S/c1-16(33)23(13-26(35)36)32-25(34)12-19-10-11-20(38-19)14-29-27(37)17-6-8-18(9-7-17)30-24-15-28-21-4-2-3-5-22(21)31-24/h2-11,15,23H,12-14H2,1H3,(H,29,37)(H,30,31)(H,32,34)(H,35,36)/t23-/m0/s1
Definition date:2004-01-09
Last modified:2024-09-27
Identifier:(3S)-4-oxo-3-[({5-[({[4-(quinoxalin-2-ylamino)phenyl]carbonyl}amino)methyl]thiophen-2-yl}acetyl)amino]pentanoic acid
Q33
Q33
Name:4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide
Formula:C21 H16 Cl2 N2 O2
SMILES:Clc1cc(cc(C(=O)Nc2ccccc2)c1Cl)C(=O)NCc3ccccc3
InChi:InChI=1S/C21H16Cl2N2O2/c22-18-12-15(20(26)24-13-14-7-3-1-4-8-14)11-17(19(18)23)21(27)25-16-9-5-2-6-10-16/h1-12H,13H2,(H,24,26)(H,25,27)
Definition date:2022-10-12
Last modified:2024-09-27
Release date:2022-12-28
Identifier:4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide
1WD
1WD
Name:3-sulfanylpyridine-2-carboxylic acid
Formula:C6 H5 N O2 S
SMILES:O=C(O)c1ncccc1S
InChi:InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
Definition date:2013-07-03
Last modified:2024-09-27
Release date:2015-09-23
Identifier:3-sulfanylpyridine-2-carboxylic acid
Q3P
Q3P
Name:N~6~-glycyl-L-lysine
Formula:C8 H17 N3 O3
SMILES:C(CN)(NCCCCC(N)C(O)=O)=O
InChi:InChI=1S/C8H17N3O3/c9-5-7(12)11-4-2-1-3-6(10)8(13)14/h6H,1-5,9-10H2,(H,11,12)(H,13,14)/t6-/m0/s1
Definition date:2019-09-16
Last modified:2024-09-27
Release date:2019-10-23
Identifier:N~6~-glycyl-L-lysine
1WZ
1WZ
Name:3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid
Formula:C19 H21 N O3
SMILES:O=C(O)c1cc(cc(N(C)C)c1)C=Cc2cc(c(O)c(c2)C)C
InChi:InChI=1S/C19H21NO3/c1-12-7-14(8-13(2)18(12)21)5-6-15-9-16(19(22)23)11-17(10-15)20(3)4/h5-11,21H,1-4H3,(H,22,23)/b6-5+
Synonyms:(E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzoic acid
Definition date:2013-07-19
Last modified:2024-09-27
Release date:2013-10-02
Identifier:3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid
1X6
1X6
Name:O-[(2E)-3-AMINOPROP-2-ENOYL]-L-SERINE
Formula:C6 H10 N2 O4
SMILES:O=C(OCC(C(=O)O)N)C=CN
InChi:InChI=1S/C6H10N2O4/c7-2-1-5(9)12-3-4(8)6(10)11/h1-2,4H,3,7-8H2,(H,10,11)/b2-1+/t4-/m0/s1
Definition date:2011-06-23
Last modified:2024-09-27
Identifier:O-[(2E)-3-aminoprop-2-enoyl]-L-serine
1XE
1XE
Name:[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3R)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
Formula:C23 H34 N7 O18 P3 S
SMILES:O=C(NC=CSCC(O)O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCc3oc(n2cnc1c(ncnc12)N)c(O)c3OP(=O)(O)O
InChi:InChI=1S/C23H34N7O18P3S/c1-23(2,18(35)21(36)26-4-3-13(31)25-5-6-52-8-14(32)33)9-45-51(42,43)48-50(40,41)44-7-12-17(47-49(37,38)39)16(34)22(46-12)30-11-29-15-19(24)27-10-28-20(15)30/h5-6,10-11,14,18,32-35H,3-4,7-9H2,1-2H3,(H,25,31)(H,26,36)(H,40,41)(H,42,43)(H2,24,27,28)(H2,37,38,39)/b6-5+/t18-/m0/s1
Definition date:2013-07-25
Last modified:2024-09-27
Release date:2013-07-31
Identifier:[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3R)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
1XG
1XG
Name:(3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide
Formula:C12 H19 N O3
SMILES:O=C(CC/C=C/C/C=C/C)C(O)CC(=O)N
InChi:InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m1/s1
Definition date:2013-07-26
Last modified:2024-09-27
Release date:2014-04-02
Identifier:(3R,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide
Q4C
Q4C
Name:~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide
Formula:C25 H22 Cl F3 N4 O3
SMILES:Cc1cc(cnc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)c(F)c3)N4CCOCC4
InChi:InChI=1S/C25H22ClF3N4O3/c1-14-8-16(33-4-6-36-7-5-33)13-30-23(14)32-25(35)17-10-18(21(28)11-19(17)26)24(34)31-12-15-2-3-20(27)22(29)9-15/h2-3,8-11,13H,4-7,12H2,1H3,(H,31,34)(H,30,32,35)
Definition date:2022-10-13
Last modified:2024-09-27
Release date:2022-12-28
Identifier:~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide

238582

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