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AZX
AZX
Name:4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-N,N-DIMETHYLBENZAMIDE
Formula:C19 H18 Cl F3 N2 O5 S
SMILES:Clc1cc(ccc1NC(=O)C(O)(C)C(F)(F)F)S(=O)(=O)c2ccc(C(=O)N(C)C)cc2
InChi:InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1
Definition date:2007-06-12
Last modified:2011-06-04
Identifier:4-[(3-chloro-4-{[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino}phenyl)sulfonyl]-N,N-dimethylbenzamide
AZY
AZY
Name:3-AZIDO-L-TYROSINE
Formula:C9 H10 N4 O3
SMILES:O=C(O)C(N)Cc1ccc(O)c(N=[N+]=[N-])c1
InChi:InChI=1S/C9H10N4O3/c10-6(9(15)16)3-5-1-2-8(14)7(4-5)12-13-11/h1-2,4,6,14H,3,10H2,(H,15,16)/t6-/m0/s1
Definition date:2007-07-11
Last modified:2011-06-04
Identifier:3-azido-L-tyrosine
B34
B34
Name:(5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one
Formula:C21 H20 N2 O4 S
SMILES:O=C4N(Cc1ccccc1)C(C(O)=C4C3=NS(=O)(=O)c2ccccc23)C(C)C
InChi:InChI=1S/C21H20N2O4S/c1-13(2)19-20(24)17(21(25)23(19)12-14-8-4-3-5-9-14)18-15-10-6-7-11-16(15)28(26,27)22-18/h3-11,13,19,24H,12H2,1-2H3/t19-/m0/s1
Definition date:2008-05-11
Last modified:2011-06-04
Identifier:(5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one
F34
F34
Name:N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide
Formula:C8 H16 N2 O4
SMILES:O=C(NC1CNCC(O)C(O)C1O)C
InChi:InChI=1S/C8H16N2O4/c1-4(11)10-5-2-9-3-6(12)8(14)7(5)13/h5-9,12-14H,2-3H2,1H3,(H,10,11)/t5-,6+,7+,8+/m0/s1
Definition date:2008-12-17
Last modified:2011-06-04
Identifier:N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide
FA5
FA5
Name:ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]
Formula:C19 H23 N6 O8 P
SMILES:O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccccc4
InChi:InChI=1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(28)33-34(29,30)31-7-12-14(26)15(27)18(32-12)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26-27H,6-7,20H2,(H,29,30)(H2,21,22,23)/t11-,12+,14+,15+,18+/m0/s1
Definition date:2001-07-20
Last modified:2011-06-04
Identifier:5'-O-[(S)-{[(2S)-2-amino-3-phenylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine
FAF
FAF
Name:2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE
Formula:C17 H24 N2 O3
SMILES:O=C(NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)C
InChi:InChI=1S/C17H24N2O3/c1-12(2)9-16(18-13(3)21)17(22)19-15(11-20)10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t15-,16-/m0/s1
Definition date:2000-08-30
Last modified:2011-06-04
Identifier:N~2~-acetyl-N-[(1S)-1-benzyl-2-oxoethyl]-L-leucinamide
FAL
FAL
Name:(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
Formula:C21 H23 Cl2 N5 O2
SMILES:Clc1cc(c(Cl)cc1)Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3
InChi:InChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)/t16-/m1/s1
Definition date:2002-06-10
Last modified:2011-06-04
Identifier:(2R)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
FAP
FAP
Name:(2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
Formula:C21 H23 F2 N5 O2
SMILES:Fc1cccc(F)c1Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3
InChi:InChI=1S/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)/t15-/m0/s1
Definition date:2002-06-10
Last modified:2011-06-04
Identifier:(2S)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
FAQ
FAQ
Name:Phenylacetyl coenzyme A
Formula:C29 H42 N7 O17 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)Cc4ccccc4
InChi:InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t18-,22-,23-,24+,28-/m1/s1
Definition date:2010-12-03
Last modified:2011-06-04
Identifier:S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} phenylethanethioate (non-preferred name)
FBL
FBL
Name:(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
Formula:C21 H23 Cl2 N5 O2
SMILES:Clc1cc(c(Cl)cc1)Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3
InChi:InChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1
Definition date:2002-06-10
Last modified:2011-06-04
Identifier:(2S)-1-[4-({4-[(2,5-dichlorophenyl)amino]pyrimidin-2-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
FCG
FCG
Name:(N5,C4A)-(ALPHA-HYDROXY-PROPANO)-3,4,4A,5-TETRAHYDRO-FLAVIN-ADENINE DINUCLEOTIDE
Formula:C30 H43 N9 O16 P2
SMILES:O=C2NC(O)C73N(c1cc(c(cc1N(C3N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)C(O)CC7
InChi:InChI=1S/C30H43N9O16P2/c1-12-5-14-15(6-13(12)2)39-19(42)3-4-30(39)27(35-29(47)36-28(30)46)37(14)7-16(40)21(43)17(41)8-52-56(48,49)55-57(50,51)53-9-18-22(44)23(45)26(54-18)38-11-34-20-24(31)32-10-33-25(20)38/h5-6,10-11,16-19,21-23,26-28,40-46H,3-4,7-9H2,1-2H3,(H,48,49)(H,50,51)(H2,31,32,33)(H2,35,36,47)/t16-,17+,18+,19+,21-,22+,23+,26+,27-,28+,30-/m0/s1
Definition date:2006-01-05
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3aS,4R,7aS)-1,4-dihydroxy-10,11-dimethyl-6-oxo-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
FCP
FCP
Name:(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
Formula:C21 H23 F2 N5 O2
SMILES:Fc1cccc(F)c1Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3
InChi:InChI=1S/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)/t15-/m1/s1
Definition date:2002-06-10
Last modified:2011-06-04
Identifier:(2R)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
FCX
FCX
Name:ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX
Formula:C23 H37 F N7 O18 P3
SMILES:O=C(O)C(F)CCNC(=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/C23H37FN7O18P3/c1-23(2,17(34)20(35)27-6-4-13(32)26-5-3-11(24)22(36)37)8-46-52(43,44)49-51(41,42)45-7-12-16(48-50(38,39)40)15(33)21(47-12)31-10-30-14-18(25)28-9-29-19(14)31/h9-12,15-17,21,33-34H,3-8H2,1-2H3,(H,26,32)(H,27,35)(H,36,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t11-,12+,15+,16+,17-,21+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(3S,5S,9R,18S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-18-fluoro-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphanonadecan-19-oic acid 3,5-dioxide (non-preferred name)
FD1
FD1
Name:N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID
Formula:C26 H28 N4 O5 S
SMILES:O=C(N1C(C(=O)O)CCCC1)C(NS(=O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)ccc4
InChi:InChI=1S/C26H28N4O5S/c27-24(28)20-9-5-6-17(14-20)15-22(25(31)30-13-4-3-10-23(30)26(32)33)29-36(34,35)21-12-11-18-7-1-2-8-19(18)16-21/h1-2,5-9,11-12,14,16,22-23,29H,3-4,10,13,15H2,(H3,27,28)(H,32,33)/t22-,23+/m0/s1
Definition date:2001-10-19
Last modified:2011-06-04
Identifier:(2R)-1-[3-carbamimidoyl-N-(naphthalen-2-ylsulfonyl)-L-phenylalanyl]piperidine-2-carboxylic acid
FD2
FD2
Name:N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER
Formula:C27 H30 N4 O5 S
SMILES:O=C(N1CCC(C(=O)OC)CC1)C(NS(=O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)ccc4
InChi:InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)/t24-/m0/s1
Definition date:2001-10-19
Last modified:2011-06-04
Identifier:methyl 1-[3-carbamimidoyl-N-(naphthalen-2-ylsulfonyl)-L-phenylalanyl]piperidine-4-carboxylate
FFM
FFM
Name:S-[(1R,2R)-2-hydroxy-1-methyl-2-phosphonoethyl]-L-cysteine
Formula:C6 H14 N O6 P S
SMILES:C[CH](SC[CH](N)C(O)=O)[CH](O)[P](O)(O)=O
InChi:InChI=1S/C6H14NO6PS/c1-3(6(10)14(11,12)13)15-2-4(7)5(8)9/h3-4,6,10H,2,7H2,1H3,(H,8,9)(H2,11,12,13)/t3-,4+,6-/m1/s1
Definition date:2009-12-08
Last modified:2011-06-04
Identifier:(2R)-2-azanyl-3-[(1R,2R)-1-hydroxy-1-phosphono-propan-2-yl]sulfanyl-propanoic acid
FG1
FG1
Name:N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID
Formula:C18 H23 Br N4 O7
SMILES:O=C(Nc1ccc(cc1)CCNC(=O)C(NC(=O)CCNC(=O)CBr)CO)C(=O)O
InChi:InChI=1S/C18H23BrN4O7/c19-9-15(26)20-8-6-14(25)23-13(10-24)16(27)21-7-5-11-1-3-12(4-2-11)22-17(28)18(29)30/h1-4,13,24H,5-10H2,(H,20,26)(H,21,27)(H,22,28)(H,23,25)(H,29,30)/t13-/m0/s1
Definition date:2003-04-23
Last modified:2011-06-04
Identifier:N-(bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide
DGA
DGA
Name:DIACYL GLYCEROL
Formula:C39 H76 O5
SMILES:O=C(OC(COC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
Definition date:2001-10-31
Last modified:2011-06-04
Identifier:(2S)-3-hydroxypropane-1,2-diyl dioctadecanoate
DGD
DGD
Name:DIGALACTOSYL DIACYL GLYCEROL (DGDG)
Formula:C51 H96 O15
SMILES:O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)COC2OC(CO)C(O)C(O)C2O)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C51H96O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h39-41,44-52,55-60H,3-38H2,1-2H3/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S)-3-[(6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]propane-1,2-diyl dioctadecanoate
DGY
DGY
Name:(2R)-2,3-DIHYDROXYPROPANOIC ACID
Formula:C3 H6 O4
SMILES:O=C(O)C(O)CO
InChi:InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1
Definition date:2005-04-08
Last modified:2011-06-04
Identifier:(2R)-2,3-dihydroxypropanoic acid
DI2
DI2
Name:AC-(D)PHE-PRO-BOROLYS-OH
Formula:C21 H33 B N4 O5
SMILES:O=C(NC(B(O)O)CCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-acetyl-D-phenylalanyl-N-[(1R)-5-amino-1-(dihydroxyboranyl)pentyl]-L-prolinamide
DI3
DI3
Name:AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH
Formula:C22 H34 B N5 O5
SMILES:O=C(NC(B(O)O)CCCCC(=[N@H])N)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C22H34BN5O5/c1-15(29)26-17(14-16-8-3-2-4-9-16)22(31)28-13-7-10-18(28)21(30)27-19(23(32)33)11-5-6-12-20(24)25/h2-4,8-9,17-19,32-33H,5-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t17-,18+,19+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-acetyl-D-phenylalanyl-N-[(1R,6Z)-6-amino-1-(dihydroxyboranyl)-6-iminohexyl]-L-prolinamide
DI4
DI4
Name:AC-(D)PHE-PRO-BOROHOMOLYS-OH
Formula:C22 H35 B N4 O5
SMILES:O=C(NC(B(O)O)CCCCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C22H35BN4O5/c1-16(28)25-18(15-17-9-4-2-5-10-17)22(30)27-14-8-11-19(27)21(29)26-20(23(31)32)12-6-3-7-13-24/h2,4-5,9-10,18-20,31-32H,3,6-8,11-15,24H2,1H3,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-acetyl-D-phenylalanyl-N-[(1R)-6-amino-1-(dihydroxyboranyl)hexyl]-L-prolinamide
DI5
DI5
Name:AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH
Formula:C20 H31 B N4 O5
SMILES:O=C(NC(B(O)O)CCCN)C2N(C(=O)C(NC(=O)C)Cc1ccccc1)CCC2
InChi:InChI=1S/C20H31BN4O5/c1-14(26)23-16(13-15-7-3-2-4-8-15)20(28)25-12-6-9-17(25)19(27)24-18(21(29)30)10-5-11-22/h2-4,7-8,16-18,29-30H,5-6,9-13,22H2,1H3,(H,23,26)(H,24,27)/t16-,17+,18+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:N-acetyl-D-phenylalanyl-N-[(1R)-4-amino-1-(dihydroxyboranyl)butyl]-L-prolinamide
DI6
DI6
Name:3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]PROPANOIC ACID
Formula:C6 H8 N2 O4
SMILES:O=C1NC(C(=O)N1)CCC(=O)O
InChi:InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/t3-/m0/s1
Definition date:2007-05-24
Last modified:2011-06-04
Identifier:3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid

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