 | | 0PQ | | Name: | N-{(2R)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine | | Formula: | C27 H31 N2 O5 P | | SMILES: | O=C(O)C(NC(=O)C(Cc1ccccc1)CP(=O)(O)C(N)Cc2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C27H31N2O5P/c28-25(18-22-14-8-3-9-15-22)35(33,34)19-23(16-20-10-4-1-5-11-20)26(30)29-24(27(31)32)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19,28H2,(H,29,30)(H,31,32)(H,33,34)/t23-,24+,25-/m1/s1 | | Definition date: | 2008-11-12 | | Last modified: | 2011-06-04 | | Identifier: | N-{(2S)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine |
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 | | EAA | | Name: | ETHACRYNIC ACID | | Formula: | C13 H12 Cl2 O4 | | SMILES: | Clc1c(C(=O)C(=C)CC)ccc(OCC(=O)O)c1Cl | | InChi: | InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | [2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid |
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 | | ETR | | Name: | N-ETHYL RETINAMIDE | | Formula: | C22 H33 N O | | SMILES: | O=C(NCC)C=C(C=CC=C(C=CC1=C(CCCC1(C)C)C)C)C | | InChi: | InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 15-(ethylamino)retinal |
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 | | FEN | | Name: | N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE | | Formula: | C26 H33 N O2 | | SMILES: | O=C(Nc1ccc(O)cc1)C=C(C=CC=C(C=CC2=C(CCCC2(C)C)C)C)C | | InChi: | InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 15-[(4-hydroxyphenyl)amino]retinal |
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 | | FYI | | Name: | N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide | | Formula: | C22 H34 N5 O9 P | | SMILES: | O=C(N)C(NC(=O)C(NC(=O)C(CC(=O)NC)Cc1ccc(OP(=O)(O)O)cc1)C(C)CC)CC(=O)N | | InChi: | InChI=1S/C22H34N5O9P/c1-4-12(2)19(22(32)26-16(20(24)30)11-17(23)28)27-21(31)14(10-18(29)25-3)9-13-5-7-15(8-6-13)36-37(33,34)35/h5-8,12,14,16,19H,4,9-11H2,1-3H3,(H2,23,28)(H2,24,30)(H,25,29)(H,26,32)(H,27,31)(H2,33,34,35)/t12-,14-,16-,19-/m0/s1 | | Definition date: | 2009-09-28 | | Last modified: | 2011-06-04 | | Identifier: | N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide |
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 | | FYQ | | Name: | N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide | | Formula: | C21 H31 N6 O10 P | | SMILES: | CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(=O)N[CH](CCC(N)=O)C(=O)N[CH](CC(N)=O)C(N)=O | | InChi: | InChI=1S/C21H31N6O10P/c1-25-18(30)9-12(8-11-2-4-13(5-3-11)37-38(34,35)36)20(32)26-14(6-7-16(22)28)21(33)27-15(19(24)31)10-17(23)29/h2-5,12,14-15H,6-10H2,1H3,(H2,22,28)(H2,23,29)(H2,24,31)(H,25,30)(H,26,32)(H,27,33)(H2,34,35,36)/t12-,14+,15+/m1/s1 | | Definition date: | 2009-09-28 | | Last modified: | 2011-06-04 | | Identifier: | [4-[(2R)-2-[[(2S)-5-azanyl-1-[[(2S)-1,4-bis(azanyl)-1,4-dioxo-butan-2-yl]amino]-1,5-dioxo-pentan-2-yl]carbamoyl]-4-(methylamino)-4-oxo-butyl]phenyl] dihydrogen phosphate |
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 | | G2S | | Name: | GUANOSINE-5'-DITHIOPHOSPHORATE | | Formula: | C10 H14 N5 O5 P S2 | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=S)(O)S | | InChi: | InChI=1S/C10H14N5O5PS2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18,22)23/h3-6,16H,1-2H2,(H2,18,22,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | | Definition date: | 2001-11-02 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-[(dithiophosphono)]guanosine |
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 | | GRO | | Name: | R-2-PHENYL-PROPRIONIC ACID | | Formula: | C9 H10 O2 | | SMILES: | O=C(O)C(c1ccccc1)C | | InChi: | InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1 | | Definition date: | 2001-11-02 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-phenylpropanoic acid |
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 | | GSP | | Name: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE | | Formula: | C10 H16 N5 O13 P3 S | | SMILES: | S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]guanosine |
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 | | HEN | | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-PENT-3-ENOIC ACID | | Formula: | C13 H18 N2 O10 P2 | | SMILES: | O=P(O)(O)C/C=C/C(=NCc1c(cnc(c1O)C)COP(=O)(O)O)C(=O)O | | InChi: | InChI=1S/C13H18N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h2-3,5,16H,4,6-7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b3-2+,15-11+ | | Definition date: | 2001-02-21 | | Last modified: | 2011-06-04 | | Identifier: | (2E,3E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-5-phosphonopent-3-enoic acid |
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 | | 3A1 | | Name: | N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine | | Formula: | C29 H41 N4 O8 P | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)C(C)CP(=O)(O)C(NC(=O)Cc1ccccc1)Cc2ccccc2)CCCCN)CO | | InChi: | InChI=1S/C29H41N4O8P/c1-20(27(36)31-23(14-8-9-15-30)28(37)32-24(18-34)29(38)39)19-42(40,41)26(17-22-12-6-3-7-13-22)33-25(35)16-21-10-4-2-5-11-21/h2-7,10-13,20,23-24,26,34H,8-9,14-19,30H2,1H3,(H,31,36)(H,32,37)(H,33,35)(H,38,39)(H,40,41)/t20-,23+,24-,26-/m1/s1 | | Definition date: | 2010-02-05 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-{(2S)-3-[(R)-hydroxy{(1R)-2-phenyl-1-[(phenylacetyl)amino]ethyl}phosphoryl]-2-methylpropanoyl}-L-lysyl-D-serine |
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 | | 3A2 | | Name: | 1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine | | Formula: | C29 H44 N5 O8 P | | SMILES: | O=C(NC(Cc1ccccc1)P(=O)(O)CCC(=O)N2C(C(=O)NC(C(=O)O)CCCC)CCC2)C3N(C(=O)CN)CCC3 | | InChi: | InChI=1S/C29H44N5O8P/c1-2-3-11-21(29(39)40)31-27(37)22-12-7-15-33(22)25(35)14-17-43(41,42)24(18-20-9-5-4-6-10-20)32-28(38)23-13-8-16-34(23)26(36)19-30/h4-6,9-10,21-24H,2-3,7-8,11-19,30H2,1H3,(H,31,37)(H,32,38)(H,39,40)(H,41,42)/t21-,22+,23+,24-/m1/s1 | | Definition date: | 2010-02-05 | | Last modified: | 2011-06-04 | | Identifier: | 1-{3-[(R)-{(1R)-1-[(glycyl-L-prolyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]propanoyl}-L-prolyl-D-norleucine |
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 | | HEY | | Name: | (2E)-2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-PHOSPHONOPENT-2-ENOIC ACID | | Formula: | C13 H20 N2 O10 P2 | | SMILES: | O=P(O)(O)CC/C=C(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O | | InChi: | InChI=1S/C13H20N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h3,5,15-16H,2,4,6-7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b11-3+ | | Definition date: | 2003-12-10 | | Last modified: | 2011-06-04 | | Identifier: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-5-phosphonopent-2-enoic acid |
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 | | HME | | Name: | PORPHYCENE CONTAINING FE | | Formula: | C34 H36 Fe N4 O4 | | SMILES: | O=C(O)CCC=8C2=C1C(=C(C=3N1[Fe]57[N+]2=C(C=Cc6c(c(c(C4=[N+]5C(=CC=3)C(=C4C)CC)n67)C)CC)C=8C)C)CCC(=O)O | | InChi: | InChI=1S/C34H38N4O4.Fe/c1-7-21-19(5)31-32-20(6)22(8-2)28(38-32)14-12-26-18(4)24(10-16-30(41)42)34(36-26)33-23(9-15-29(39)40)17(3)25(35-33)11-13-27(21)37-31 | | Definition date: | 2006-01-10 | | Last modified: | 2011-06-04 | | Identifier: | {3,3'-[9,14-diethyl-4,10,13,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1~2,5~.1~8,11~.1~12,15~]tetracosa-1,3,5(24),6,8,10,12(22),13,15,17,19-undecaene-3,20-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron(2+) |
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 | | HP0 | | Name: | (3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid | | Formula: | C20 H30 N2 O3 | | SMILES: | O=C(O)C1N(CC2CCCCC2C1)CC(O)C(N)Cc3ccccc3 | | InChi: | InChI=1S/C20H30N2O3/c21-17(10-14-6-2-1-3-7-14)19(23)13-22-12-16-9-5-4-8-15(16)11-18(22)20(24)25/h1-3,6-7,15-19,23H,4-5,8-13,21H2,(H,24,25)/t15-,16+,17-,18-,19+/m0/s1 | | Definition date: | 2010-10-09 | | Last modified: | 2011-06-04 | | Identifier: | (3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid |
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 | | 3FT | | Name: | 2-({[3-FLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXYLIC ACID | | Formula: | C20 H15 F4 N O4 | | SMILES: | O=C(C1=C(C(=O)O)CCC1)Nc3ccc(c2cccc(OC(F)(F)F)c2)cc3F | | InChi: | InChI=1S/C20H15F4NO4/c21-16-10-12(11-3-1-4-13(9-11)29-20(22,23)24)7-8-17(16)25-18(26)14-5-2-6-15(14)19(27)28/h1,3-4,7-10H,2,5-6H2,(H,25,26)(H,27,28) | | Definition date: | 2005-07-27 | | Last modified: | 2011-06-04 | | Identifier: | 2-{[3-fluoro-3'-(trifluoromethoxy)biphenyl-4-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid |
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 | | 27A | | Name: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide | | Formula: | C13 H19 N5 S | | SMILES: | S=C(/N=NCc2c(N1CCN(C)CC1)cccc2)N | | InChi: | InChI=1S/C13H19N5S/c1-17-6-8-18(9-7-17)12-5-3-2-4-11(12)10-15-16-13(14)19/h2-5H,6-10H2,1H3,(H2,14,19)/b16-15- | | Definition date: | 2009-03-27 | | Last modified: | 2011-06-04 | | Identifier: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide |
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 | | 23D | | Name: | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE | | Formula: | C19 H24 Cl N7 | | SMILES: | Clc1cccc(c1)Nc3nc(nc2c3ncn2CC)NC4CCCCC4N | | InChi: | InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15-/m1/s1 | | Definition date: | 2005-12-01 | | Last modified: | 2011-06-04 | | Identifier: | N~2~-[(1R,2R)-2-aminocyclohexyl]-N~6~-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine |
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 | | A27 | | Name: | N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide | | Formula: | C23 H21 N3 O2 | | SMILES: | CCCC(=O)Nc1n[nH]c2cc(c3ccc(O)cc3)c(cc12)c4ccccc4 | | InChi: | InChI=1S/C23H21N3O2/c1-2-6-22(28)24-23-20-13-18(15-7-4-3-5-8-15)19(14-21(20)25-26-23)16-9-11-17(27)12-10-16/h3-5,7-14,27H,2,6H2,1H3,(H2,24,25,26,28) | | Definition date: | 2010-01-22 | | Last modified: | 2011-06-04 | | Identifier: | N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide |
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 | | AF3 | | Name: | ALUMINUM FLUORIDE | | Formula: | Al F3 | | SMILES: | F[Al](F)F | | InChi: | InChI=1S/Al.3FH/h | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | aluminum trifluoride |
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 | | 1ZT | | Name: | N-acetyl-L-cysteine | | Formula: | C5 H9 N O3 S | | SMILES: | O=C(NC(C(=O)O)CS)C | | InChi: | InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 | | Definition date: | 2008-08-27 | | Last modified: | 2010-03-29 | | Identifier: | N-acetyl-L-cysteine |
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 | | 1ZD | | Name: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | | Formula: | C35 H68 N11 O8 | | SMILES: | O=C(NC(C(=O)NC(CCCC)CNC(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[NH2+])N)CCC(=O)N)CCCC)C(C)CC)C(NC(=O)C)C(O)C | | InChi: | InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+1/t20-,21+,23-,24-,25-,26-,28-,29-/m0/s1 | | Synonyms: | Peptide Inhibitor p2/NC | | Definition date: | 2008-08-22 | | Last modified: | 2010-01-12 | | Identifier: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide |
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 | | CB5 | | Name: | COBALT BIS(1,2-DICARBOLLIDE) | | Formula: | C4 H22 B18 Co | | SMILES: | [Co]|1|2|3|4|5|6|7|8([BH]9%10[BH]%11%12|1[BH]9%13[BH]%11%14%15[BH]%16|2%12[CH]%17%18|3[CH]%19|4%10[BH-]%20[BH]%17%19%21[BH]%14%16%18[BH+]%13%15%20%21)[BH]%22%23[BH]%24%25|5[BH]%26%27|6[CH]%28%29|7[CH]%30|8%22[BH]%31%32[BH]%23%24%33[BH]%25%26%34[BH]%27%28%35[BH]%29%30%31[BH]%32%33%34%35 | | InChi: | InChI=1S/2C2H11B9.Co/c3-1-2-4-6(3)9(3)5(1)7(1,2)8(2,4)10(4,6,9)11(5,7,8)9 | | Definition date: | 2005-06-14 | | Last modified: | 2009-08-02 |
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 | | TTH | | Name: | 2,6,10,14-TETRAMETHYL-HEXADECA-2,6,10,14-TETRAENE | | Formula: | C20 H34 | | SMILES: | C(=C/CCC(=C/C)/C)(CC/C=C(/CC/C=C(C)C)C)C | | InChi: | InChI=1/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+ | | Definition date: | 2002-11-20 | | Last modified: | 2009-05-01 | | Identifier: | (6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene |
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 | | T31 | | Name: | THYMIDINE 5'-MONOTHIOPHOSPHATE | | Formula: | C9 H13 N2 O8 P S | | SMILES: | O=P(O)(S)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O | | InChi: | InChI=1/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1/f/h10,16,21H | | Definition date: | 1998-01-07 | | Last modified: | 2009-01-07 | | Identifier: | 5'-O-thiophosphonouridine |
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