 | | RSA | | Name: | N-PROPARGYL-1(S)-AMINOINDAN | | Formula: | C12 H13 N | | SMILES: | C#CCNC2c1ccccc1CC2 | | InChi: | InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1 | | Definition date: | 2004-01-22 | | Last modified: | 2011-06-04 | | Identifier: | (1S)-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine |
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 | | 3GH | | Name: | N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide | | Formula: | C50 H99 N O7 | | SMILES: | O=C(NC(COC1OC(C(O)CC1O)CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-49(56)51-44(43-57-50-47(55)41-46(54)48(42-52)58-50)45(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-48,50,52-55H,3-43H2,1-2H3,(H,51,56)/t44-,45+,46+,47+,48+,50-/m0/s1 | | Definition date: | 2010-12-03 | | Last modified: | 2011-06-04 | | Identifier: | N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide |
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 | | RSD | | Name: | RESPINOMYCIN D | | Formula: | C51 H75 N2 O22 | | SMILES: | [O-][N+](=O)C2(C)CC(OC(C)C2OC1OC(C)C(O)C(O)(C)C1OC)OC5C(C(O)C4OC3=C6C(=O)C9=C(C(=O)C6C=CC3C5(O4)C)CC8=C(C(OC7OC(C)C(O)C(O)(C)C7OC)C(OC)C(O)(C)C8)C9O)[NH+](C)C | | InChi: | InChI=1S/C51H74N2O22/c1-19-37(58)49(6,61)42(66-12)45(69-19)73-36-27-22(17-48(5,60)41(36)65-11)16-24-28(32(27)55)33(56)29-23(31(24)54)14-15-25-35(29)72-44-34(57)30(52(9)10)40(51(25,8)75-44)71-26-18-47(4,53(63)64)39(21(3)68-26)74-46-43(67-13)50(7,62)38(59)20(2)70-46/h14-15,19-21,23,25-26,30,32,34,36-46,55,57-62H,16-18H2,1-13H3/p+1/t19-,20-,21+,23+,25-,26-,30-,32+,34-,36+,37-,38-,39+,40-,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+/m0/s1 | | Definition date: | 2002-11-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S,4S,5S,6R,6aS,8aR,12S,13S,14R,15R)-14-[(6-deoxy-3-C-methyl-2-O-methyl-alpha-L-mannopyranosyl)oxy]-3,12,15-trihydroxy-13-methoxy-N,N,6,12-tetramethyl-9,16-dioxo-5-{[2,3,6-trideoxy-4-O-(6-deoxy-3-C-methyl-2-O-methyl-alpha-L-mannopyranosyl)-3-methyl-3-nitro-beta-D-ribo-hexopyranosyl]oxy}-3,4,5,6,6a,8a,9,10,11,12,13,14,15,16-tetradecahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-4-aminium |
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 | | RSF | | Name: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol | | Formula: | C6 H10 O3 | | SMILES: | OC1COC2OCCC12 | | InChi: | InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m0/s1 | | Definition date: | 2008-10-16 | | Last modified: | 2011-06-04 | | Identifier: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol |
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 | | 3GN | | Name: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide | | Formula: | C13 H16 N4 O | | SMILES: | O=C(N)c3c1c(nc(n1)C2(NCCC2)C)ccc3 | | InChi: | InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m0/s1 | | Definition date: | 2009-03-17 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide |
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 | | 3GP | | Name: | GUANOSINE-3'-MONOPHOSPHATE | | Formula: | C10 H14 N5 O8 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO | | InChi: | InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3'-guanylic acid |
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 | | RSM | | Name: | (2S)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl]butanamide | | Formula: | C8 H16 N2 O3 S | | SMILES: | O=C(NC(C(=O)NC)CCS(=O)C)C | | InChi: | InChI=1S/C8H16N2O3S/c1-6(11)10-7(8(12)9-2)4-5-14(3)13/h7H,4-5H2,1-3H3,(H,9,12)(H,10,11)/t7-,14+/m0/s1 | | Definition date: | 2009-06-01 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl]butanamide |
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 | | RSO | | Name: | R-STYRENE OXIDE | | Formula: | C8 H8 O | | SMILES: | O2C(c1ccccc1)C2 | | InChi: | InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2/t8-/m0/s1 | | Definition date: | 2003-08-12 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-phenyloxirane |
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 | | 3GU | | Name: | N6-cyclopentyladenosine | | Formula: | C15 H21 N5 O4 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC4CCCC4 | | InChi: | InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1 | | Definition date: | 2009-04-10 | | Last modified: | 2011-06-04 | | Identifier: | N-cyclopentyladenosine |
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 | | 3GV | | Name: | (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid | | Formula: | C11 H11 N O4 | | SMILES: | O=C2N(c1c(O)cccc1)CC(C(=O)O)C2 | | InChi: | InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1 | | Definition date: | 2009-04-02 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
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 | | RSX | | Name: | (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) | | Formula: | C8 H17 N O6 P2 | | SMILES: | O=P(O)(O)C2(CC1C(NCCC1)C2)P(=O)(O)O | | InChi: | InChI=1S/C8H17NO6P2/c10-16(11,12)8(17(13,14)15)4-6-2-1-3-9-7(6)5-8/h6-7,9H,1-5H2,(H2,10,11,12)(H2,13,14,15)/t6-,7+/m0/s1 | | Definition date: | 2008-04-03 | | Last modified: | 2011-06-04 | | Identifier: | (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) |
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 | | RT8 | | Name: | NALPHA-[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]-N-PYRIDIN-4-YL-D-TRYPTOPHANAMIDE | | Formula: | C24 H28 N4 O2 | | SMILES: | O=C(Nc1ccncc1)C(NC(=O)C2CCC(C)CC2)Cc4c3ccccc3nc4 | | InChi: | InChI=1S/C24H28N4O2/c1-16-6-8-17(9-7-16)23(29)28-22(24(30)27-19-10-12-25-13-11-19)14-18-15-26-21-5-3-2-4-20(18)21/h2-5,10-13,15-17,22,26H,6-9,14H2,1H3,(H,28,29)(H,25,27,30)/t16-,17-,22-/m1/s1 | | Definition date: | 2010-04-16 | | Last modified: | 2011-06-04 | | Identifier: | Nalpha-[(trans-4-methylcyclohexyl)carbonyl]-N-pyridin-4-yl-D-tryptophanamide |
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 | | 3HF | | Name: | N~3~-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dibutyl-1H-indole-1,3-dicarboxamide | | Formula: | C36 H46 N4 O4 | | SMILES: | O=C(c2c1ccccc1n(c2)C(=O)N(CCCC)CCCC)NC(Cc3ccccc3)C(O)CNCc4cccc(OC)c4 | | InChi: | InChI=1S/C36H46N4O4/c1-4-6-20-39(21-7-5-2)36(43)40-26-31(30-18-11-12-19-33(30)40)35(42)38-32(23-27-14-9-8-10-15-27)34(41)25-37-24-28-16-13-17-29(22-28)44-3/h8-19,22,26,32,34,37,41H,4-7,20-21,23-25H2,1-3H3,(H,38,42)/t32-,34+/m0/s1 | | Definition date: | 2010-08-19 | | Last modified: | 2011-06-04 | | Identifier: | N~1~,N~1~-dibutyl-N~3~-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-1H-indole-1,3-dicarboxamide |
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 | | 3HH | | Name: | N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide | | Formula: | C34 H37 F2 N5 O4 | | SMILES: | Fc1cc(cc(F)c1)CC(NC(=O)c3c2cc(C#N)ccc2n(c3)C(=O)N(CCCC)C)C(O)CNCc4cccc(OC)c4 | | InChi: | InChI=1S/C34H37F2N5O4/c1-4-5-11-40(2)34(44)41-21-29(28-15-22(18-37)9-10-31(28)41)33(43)39-30(16-24-12-25(35)17-26(36)13-24)32(42)20-38-19-23-7-6-8-27(14-23)45-3/h6-10,12-15,17,21,30,32,38,42H,4-5,11,16,19-20H2,1-3H3,(H,39,43)/t30-,32+/m0/s1 | | Definition date: | 2010-08-19 | | Last modified: | 2011-06-04 | | Identifier: | N~1~-butyl-5-cyano-N~3~-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]butan-2-yl}-N~1~-methyl-1H-indole-1,3-dicarboxamide |
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 | | 3HP | | Name: | 3-HYDROXYPHENYLACETATE | | Formula: | C8 H8 O3 | | SMILES: | O=C(O)Cc1cc(O)ccc1 | | InChi: | InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (3-hydroxyphenyl)acetic acid |
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 | | BHA | | Name: | 2-HYDROXY-4-AMINOBENZOIC ACID | | Formula: | C7 H7 N O3 | | SMILES: | O=C(O)c1ccc(cc1O)N | | InChi: | InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-amino-2-hydroxybenzoic acid |
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 | | BHB | | Name: | 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-3H-QUINAZOLIN-4-ONE | | Formula: | C13 H19 N5 O S | | SMILES: | O=C1c2c(N=C(N1)N)c(cc(N)c2)CSCCN(C)C | | InChi: | InChI=1S/C13H19N5OS/c1-18(2)3-4-20-7-8-5-9(14)6-10-11(8)16-13(15)17-12(10)19/h5-6H,3-4,7,14H2,1-2H3,(H3,15,16,17,19) | | Definition date: | 2003-08-15 | | Last modified: | 2011-06-04 | | Identifier: | 2,6-diamino-8-({[2-(dimethylamino)ethyl]sulfanyl}methyl)quinazolin-4(3H)-one |
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 | | RTP | | Name: | RIBAVIRIN TRIPHOSPHATE | | Formula: | C8 H15 N4 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n1nc(nc1)C(=O)N)C(O)C2O | | InChi: | InChI=1S/C8H15N4O14P3/c9-6(15)7-10-2-12(11-7)8-5(14)4(13)3(24-8)1-23-28(19,20)26-29(21,22)25-27(16,17)18/h2-5,8,13-14H,1H2,(H2,9,15)(H,19,20)(H,21,22)(H2,16,17,18)/t3-,4-,5-,8-/m1/s1 | | Definition date: | 2002-09-09 | | Last modified: | 2011-06-04 | | Identifier: | 1-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-1,2,4-triazole-3-carboxamide |
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 | | RTR | | Name: | 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | | Formula: | C20 H19 Cl N4 O3 S2 | | SMILES: | O=C2N(Cc1ccc(C(=[N@H])N)cc1)CCN(C2)S(=O)(=O)c4sc3cc(Cl)ccc3c4 | | InChi: | InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23) | | Definition date: | 2003-01-31 | | Last modified: | 2011-06-04 | | Identifier: | 4-({4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzenecarboximidamide |
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 | | BHK | | Name: | (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid | | Formula: | C12 H14 O4 | | SMILES: | O=C(CO)CC(C(=O)O)Cc1ccccc1 | | InChi: | InChI=1S/C12H14O4/c13-8-11(14)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,15,16)/t10-/m1/s1 | | Definition date: | 2009-01-22 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid |
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 | | BHO | | Name: | BENZHYDROXAMIC ACID | | Formula: | C7 H7 N O2 | | SMILES: | O=C(NO)c1ccccc1 | | InChi: | InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-hydroxybenzamide |
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 | | BHP | | Name: | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | | Formula: | C31 H37 N O4 | | SMILES: | O=C(O)CCC(NC(=O)CCCCCCc1ccccc1)Cc3ccc(OCc2ccccc2)cc3 | | InChi: | InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1 | | Definition date: | 2002-12-06 | | Last modified: | 2011-06-04 | | Identifier: | (4S)-5-[4-(benzyloxy)phenyl]-4-[(7-phenylheptanoyl)amino]pentanoic acid |
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 | | BHR | | Name: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid | | Formula: | C20 H24 N2 O7 | | SMILES: | O=C(O)CN(Cc1cccc(O)c1O)CCN(Cc2ccccc2O)CC(=O)O | | InChi: | InChI=1S/C20H24N2O7/c23-16-6-2-1-4-14(16)10-21(12-18(25)26)8-9-22(13-19(27)28)11-15-5-3-7-17(24)20(15)29/h1-7,23-24,29H,8-13H2,(H,25,26)(H,27,28) | | Definition date: | 2010-05-26 | | Last modified: | 2011-06-04 | | Identifier: | [{2-[(carboxymethyl)(2,3-dihydroxybenzyl)amino]ethyl}(2-hydroxybenzyl)amino]acetic acid (non-preferred name) |
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 | | BHS | | Name: | 6S-5,6,7,8-TETRAHYDROBIOPTERIN | | Formula: | C9 H15 N5 O3 | | SMILES: | O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C | | InChi: | InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4-,6-/m1/s1 | | Definition date: | 1999-12-16 | | Last modified: | 2011-06-04 | | Identifier: | (6R)-2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one |
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 | | RU8 | | Name: | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+) | | Formula: | C34 H26 I N7 O Ru | | SMILES: | ICC(=O)Nc1cc7c6c2c1cccn2[Ru+2]%105(n3ccccc3c4ccccn45)(n6ccc7)n8ccccc8c9ccccn9%10 | | InChi: | InChI=1S/C14H10IN3O.2C10H8N2.Ru/c15-8-12(19)18-11-7-9-3-1-5-16-13(9)14-10(11)4-2-6-17-14 | | Definition date: | 2010-07-20 | | Last modified: | 2011-06-04 | | Identifier: | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+) |
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