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EDT
EDT
Name:{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
Formula:C10 H16 N2 O8
SMILES:O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChi:InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
Definition date:2003-01-16
Last modified:2011-06-04
Identifier:2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid
EEB
EEB
Name:URIDINE-DIPHOSPHATE-3(N-ACETYLGLUCOSAMINYL)BUTYRIC ACID
Formula:C21 H33 N3 O19 P2
SMILES:O=P(OC1OC(C(O)C(OC(C(=O)O)CC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C21H33N3O19P2/c1-3-9(19(31)32)39-17-13(22-8(2)26)20(41-10(6-25)15(17)29)42-45(36,37)43-44(34,35)38-7-11-14(28)16(30)18(40-11)24-5-4-12(27)23-21(24)33/h4-5,9-11,13-18,20,25,28-30H,3,6-7H2,1-2H3,(H,22,26)(H,31,32)(H,34,35)(H,36,37)(H,23,27,33)/t9-,10-,11-,13-,14-,15-,16-,17-,18-,20-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}butanoic acid (non-preferred name)
EED
EED
Name:(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Formula:C20 H28 O3
SMILES:Oc1cc4c(cc1)C3C(CC2(C(CCC2O)C3CC4)C)COC
InChi:InChI=1S/C20H28O3/c1-20-10-13(11-23-2)19-15-6-4-14(21)9-12(15)3-5-16(19)17(20)7-8-18(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16+,17+,18+,19-,20+/m1/s1
Definition date:2007-07-11
Last modified:2011-06-04
Identifier:(9beta,11alpha,13alpha,14beta,17alpha)-11-(methoxymethyl)estra-1(10),2,4-triene-3,17-diol
EES
EES
Name:3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Formula:C13 H9 Cl N2 O2
SMILES:Clc1c3cc(O)ccc3nn1c2ccc(O)cc2
InChi:InChI=1S/C13H9ClN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H
Definition date:2007-07-11
Last modified:2011-06-04
Identifier:3-chloro-2-(4-hydroxyphenyl)-2H-indazol-5-ol
EEU
EEU
Name:ESTRADIOL-PYRIDINIUM TETRAACETIC ACID
Formula:C35 H41 N3 O10
SMILES:C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[C]2(O)C#Cc5cc(CN(CC(O)=O)CC(O)=O)nc(CN(CC(O)=O)CC(O)=O)c5
InChi:InChI=1S/C35H41N3O10/c1-34-9-7-27-26-5-3-25(39)14-22(26)2-4-28(27)29(34)8-11-35(34,48)10-6-21-12-23(15-37(17-30(40)41)18-31(42)43)36-24(13-21)16-38(19-32(44)45)20-33(46)47/h3,5,12-14,27-29,39,48H,2,4,7-9,11,15-20H2,1H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)/t27-,28-,29+,34+,35+/m1/s1
Definition date:2011-02-24
Last modified:2011-06-04
Identifier:2-[[6-[(bis(carboxymethyl)amino)methyl]-4-[2-[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethynyl]pyridin-2-yl]methyl-(carboxymethyl)amino]ethanoic acid
EFP
EFP
Name:N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide
Formula:C18 H22 N4 O3
SMILES:O=C(NC3CC(n1cc(nc1)NC(=O)Cc2ccc(OC)cc2)C3)C
InChi:InChI=1S/C18H22N4O3/c1-12(23)20-14-8-15(9-14)22-10-17(19-11-22)21-18(24)7-13-3-5-16(25-2)6-4-13/h3-6,10-11,14-15H,7-9H2,1-2H3,(H,20,23)(H,21,24)/t14-,15+
Definition date:2009-07-30
Last modified:2011-06-04
Identifier:N-{1-[cis-3-(acetylamino)cyclobutyl]-1H-imidazol-4-yl}-2-(4-methoxyphenyl)acetamide
EFQ
EFQ
Name:N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide
Formula:C16 H19 N3 O3
SMILES:O=C(Nc1ncn(c1)C2CC(O)C2)Cc3ccc(OC)cc3
InChi:InChI=1S/C16H19N3O3/c1-22-14-4-2-11(3-5-14)6-16(21)18-15-9-19(10-17-15)12-7-13(20)8-12/h2-5,9-10,12-13,20H,6-8H2,1H3,(H,18,21)/t12-,13+
Definition date:2009-07-30
Last modified:2011-06-04
Identifier:N-[1-(cis-3-hydroxycyclobutyl)-1H-imidazol-4-yl]-2-(4-methoxyphenyl)acetamide
EG1
EG1
Name:AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE
Formula:C15 H24 N4 O6 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCNC(=O)CN)cc1
InChi:InChI=1S/C15H24N4O6S/c16-11-14(20)18-5-7-24-9-10-25-8-6-19-15(21)12-1-3-13(4-2-12)26(17,22)23/h1-4H,5-11,16H2,(H,18,20)(H,19,21)(H2,17,22,23)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-(2-{2-[2-(glycylamino)ethoxy]ethoxy}ethyl)-4-sulfamoylbenzamide
EG2
EG2
Name:AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE
Formula:C13 H21 N3 O5 S
SMILES:O=S(=O)(N)c1ccc(C(=O)NCCOCCOCCN)cc1
InChi:InChI=1S/C13H21N3O5S/c14-5-7-20-9-10-21-8-6-16-13(17)11-1-3-12(4-2-11)22(15,18)19/h1-4H,5-10,14H2,(H,16,17)(H2,15,18,19)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}-4-sulfamoylbenzamide
EG3
EG3
Name:PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE
Formula:C22 H30 N4 O6 S
SMILES:O=S(=O)(N)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)C(N)Cc2ccccc2
InChi:InChI=1S/C22H30N4O6S/c23-20(16-17-4-2-1-3-5-17)22(28)26-11-13-32-15-14-31-12-10-25-21(27)18-6-8-19(9-7-18)33(24,29)30/h1-9,20H,10-16,23H2,(H,25,27)(H,26,28)(H2,24,29,30)/t20-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-{2-[2-(2-{[(4-sulfamoylphenyl)carbonyl]amino}ethoxy)ethoxy]ethyl}-L-phenylalaninamide
EIN
EIN
Name:(1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID
Formula:C17 H22 N O6 P S
SMILES:O=P(O)(O)C(NS(=O)(=O)c2ccc(c1ccc(OC)cc1)cc2)C(C)C
InChi:InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1
Definition date:2005-06-01
Last modified:2011-06-04
Identifier:[(1S)-1-{[(4'-methoxybiphenyl-4-yl)sulfonyl]amino}-2-methylpropyl]phosphonic acid
EKO
EKO
Name:4-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
Formula:C18 H15 Cl3 N2 O
SMILES:Clc1ccc(CO[CH](Cc2c[nH]cn2)c3ccc(Cl)cc3Cl)cc1
InChi:InChI=1S/C18H15Cl3N2O/c19-13-3-1-12(2-4-13)10-24-18(8-15-9-22-11-23-15)16-6-5-14(20)7-17(16)21/h1-7,9,11,18H,8,10H2,(H,22,23)/t18-/m1/s1
Definition date:2009-09-02
Last modified:2011-06-04
Identifier:4-[(2R)-2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
EL
EL
Name:ELLIPTICINE
Formula:C17 H15 N2
SMILES:c1cccc4c1c2c(c(c3c(c2C)c[nH+]cc3)C)n4
InChi:InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3/p+1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium
ELI
ELI
Name:6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID
Formula:C17 H18 O4
SMILES:O=C2c1c(cccc1)C(=O)C(=C2C)CCCCCC(=O)O
InChi:InChI=1S/C17H18O4/c1-11-12(7-3-2-4-10-15(18)19)17(21)14-9-6-5-8-13(14)16(11)20/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,19)
Definition date:2006-04-06
Last modified:2011-06-04
Identifier:6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hexanoic acid
EMB
EMB
Name:METHYL-CARBAMIC ACID ETHYL ESTER
Formula:C4 H9 N O2
SMILES:O=C(OCC)NC
InChi:InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)
Definition date:1999-10-22
Last modified:2011-06-04
Identifier:ethyl methylcarbamate
EMR
EMR
Name:N-AMINOETHYLMORPHOLINE
Formula:C6 H14 N2 O
SMILES:O1CCN(CCN)CC1
InChi:InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2-morpholin-4-ylethanamine
EN1
EN1
Name:(2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
Formula:C9 H8 O4
SMILES:O=C(O)C(/O)=Cc1ccc(O)cc1
InChi:InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5+
Definition date:2009-09-11
Last modified:2011-06-04
Identifier:(2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
END
END
Name:1,6:5,9:8,12:11,16-TETRAANHYDRO-2,3,4,10,13,14-HEXADEOXY-D-GLYCERO-D-ALLO-D-GULO-HEPTADECA-2,13-DIENITOL
Formula:C17 H24 O7
SMILES:O2C(C(O)C=CC3OC1C(O)C4OCC=CCC4OC1CC23)CO
InChi:InChI=1S/C17H24O7/c18-8-14-9(19)4-5-10-12(23-14)7-13-17(24-10)15(20)16-11(22-13)3-1-2-6-21-16/h1-2,4-5,9-20H,3,6-8H2/t9-,10+,11-,12-,13+,14+,15+,16-,17+/m0/s1
Definition date:2007-10-03
Last modified:2011-06-04
Identifier:1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol
ENE
ENE
Name:(4Z)-2,8:7,12:11,15:14,18:17,22-PENTAANHYDRO-4,5,6,9,10,13,19,20,21-NONADEOXY-D-ARABINO-D-ALLO-D-ALLO-DOCOSA-4,9,20-TRIENITOL
Formula:C22 H30 O8
SMILES:O3C1C(OC(CO)C(O)C=CC1)C=CC4OC2C(O)C5OCC=CCC5OC2CC34
InChi:InChI=1S/C22H30O8/c23-11-19-12(24)4-3-6-13-14(28-19)7-8-15-17(27-13)10-18-22(30-15)20(25)21-16(29-18)5-1-2-9-26-21/h1-4,7-8,12-25H,5-6,9-11H2/b4-3-/t12-,13+,14-,15+,16-,17-,18+,19+,20+,21-,22+/m0/s1
Definition date:2007-10-03
Last modified:2011-06-04
Identifier:(4Z)-2,8:7,12:11,15:14,18:17,22-pentaanhydro-4,5,6,9,10,13,19,20,21-nonadeoxy-L-arabino-L-allo-L-allo-docosa-4,9,20-trienitol
ENP
ENP
Name:ETHENO-NADP
Formula:C17 H24 N5 O17 P3
SMILES:O=P(O)(O)OC4C(O)C(OC4n2c3ncn1ccnc1c3nc2)COP(=O)(O)OP(=O)(O)OCC5OC(O)C(O)C5O
InChi:InChI=1S/C17H24N5O17P3/c23-10-7(37-17(26)12(10)25)3-34-41(30,31)39-42(32,33)35-4-8-11(24)13(38-40(27,28)29)16(36-8)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-26H,3-4H2,(H,30,31)(H,32,33)(H2,27,28,29)/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1
Definition date:2001-12-06
Last modified:2011-06-04
Identifier:[(2R,3R,4R,5R)-3-hydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
ENT
ENT
Name:3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Formula:C16 H23 N3 O6 S
SMILES:O=S(=O)(O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)NC)C2
InChi:InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m1/s1
Definition date:2005-12-01
Last modified:2011-06-04
Identifier:[(3R)-2-(tert-butoxycarbonyl)-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid
002
002
Name:N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
Formula:C23 H35 N3 O6
SMILES:O=C(O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)CC(=O)NO)C(C)CC)CC(C)C
InChi:InChI=1S/C23H35N3O6/c1-5-15(4)20(22(29)24-18(23(30)31)11-14(2)3)25-21(28)17(13-19(27)26-32)12-16-9-7-6-8-10-16/h6-10,14-15,17-18,20,32H,5,11-13H2,1-4H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)/t15-,17+,18-,20-/m0/s1
Definition date:2006-02-02
Last modified:2011-06-04
Identifier:N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-isoleucyl-L-leucine
005
005
Name:(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid
Formula:C10 H13 N O3
SMILES:O=C(O)C(O)C(N)Cc1ccccc1
InChi:InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9-/m0/s1
Definition date:2010-04-27
Last modified:2011-06-04
Identifier:(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid
008
008
Name:(S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
Formula:C20 H22 F N3 O2
SMILES:Fc1ccccc1CC(N)CC(=O)N3C(C(=O)N)Cc2c(cccc2)C3
InChi:InChI=1S/C20H22FN3O2/c21-17-8-4-3-6-14(17)9-16(22)11-19(25)24-12-15-7-2-1-5-13(15)10-18(24)20(23)26/h1-8,16,18H,9-12,22H2,(H2,23,26)/t16-,18+/m1/s1
Definition date:2005-06-09
Last modified:2011-06-04
Identifier:(3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
009
009
Name:(4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide
Formula:C37 H43 N5 O3
SMILES:O=C4N(Cc1ccccc1)CC(C(=O)NC(Cc2ccccc2)C(O)CNCc3cccc(N(C)C)c3)(N4)Cc5ccccc5
InChi:InChI=1S/C37H43N5O3/c1-41(2)32-20-12-19-31(21-32)24-38-25-34(43)33(22-28-13-6-3-7-14-28)39-35(44)37(23-29-15-8-4-9-16-29)27-42(36(45)40-37)26-30-17-10-5-11-18-30/h3-21,33-34,38,43H,22-27H2,1-2H3,(H,39,44)(H,40,45)/t33-,34+,37-/m0/s1
Definition date:2008-03-17
Last modified:2011-06-04
Identifier:(4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide

224931

PDB entries from 2024-09-11

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