 | | HDD | | Name: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | | Formula: | C34 H32 Fe N4 O5 | | SMILES: | O=C(O)CCc1c(c2C=C7C(=C(C=C)C6=Cc5c(c(C=C)c4C=C9N3C(=Cc1n2[Fe]3(n45)N67)C8(OC(=O)CC8)C9(O)C)C)C)C | | InChi: | InChI=1S/C34H32N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23 | | Synonyms: | HEME | | Definition date: | 2000-08-22 | | Last modified: | 2020-06-17 | | Identifier: | {3-[(2R,5'S)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,12,14,16,18]nonaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron |
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 | | HEM | | Name: | PROTOPORPHYRIN IX CONTAINING FE | | Formula: | C34 H32 Fe N4 O4 | | SMILES: | C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)C=C)C)C=C)C)C)CCC(=O)O | | InChi: | InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25 | | Synonyms: | HEME | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid |
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 | | HFS | | Name: | 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE | | Formula: | C14 H17 N3 O3 S | | SMILES: | O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3 | | InChi: | InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18) | | Synonyms: | HYDROXYFASUDIL | | Definition date: | 2005-10-26 | | Last modified: | 2020-06-17 | | Identifier: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-ol |
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 | | HFT | | Name: | HYDROXYFLUTAMIDE | | Formula: | C11 H11 F3 N2 O4 | | SMILES: | FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(C)C | | InChi: | InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17) | | Synonyms: | 2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE | | Definition date: | 2005-09-06 | | Last modified: | 2020-06-17 | | Identifier: | 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide |
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 | | HIA | | Name: | L-HISTIDINE AMIDE | | Formula: | C6 H10 N4 O | | SMILES: | O=C(N)C(N)Cc1cncn1 | | InChi: | InChI=1S/C6H10N4O/c7-5(6(8)11)1-4-2-9-3-10-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10)/t5-/m0/s1 | | Synonyms: | L-HISTIDINAMIDE | | Definition date: | 2003-10-31 | | Last modified: | 2020-06-17 | | Identifier: | L-histidinamide |
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 | | HIU | | Name: | (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID | | Formula: | C4 H8 O3 | | SMILES: | O=C(O)C(C)CO | | InChi: | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 | | Synonyms: | 3-HYDROXYISOBUTYRATE | | Definition date: | 2005-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-hydroxy-2-methylpropanoic acid |
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 | | 2HB | | Name: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide | | Formula: | C21 H23 N5 O3 S | | SMILES: | O=S5(=O)CCN(Cc4ccc(c2cccc1nc(nn12)NC(=O)C3CC3)cc4)CC5 | | InChi: | InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | | Synonyms: | G146034 | | Definition date: | 2014-03-28 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-19 | | Identifier: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide |
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 | | HMX | | Name: | 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide | | Formula: | C12 H18 Cl N7 O | | SMILES: | NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2 | | InChi: | InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21) | | Synonyms: | HMA | | Definition date: | 2018-02-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide |
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 | | HPV | | Name: | 2-oxo-3-(phosphonooxy)propanoic acid | | Formula: | C3 H5 O7 P | | SMILES: | O=P(O)(O)OCC(=O)C(=O)O | | InChi: | InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9) | | Synonyms: | Hydroxypyruvic acid phosphate | | Definition date: | 2008-06-09 | | Last modified: | 2020-06-17 | | Identifier: | 2-oxo-3-(phosphonooxy)propanoic acid |
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 | | HSS | | Name: | 5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE | | Formula: | C16 H21 N9 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4cncn4 | | InChi: | InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1 | | Synonyms: | 5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE | | Definition date: | 2007-05-25 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(L-histidylsulfamoyl)adenosine |
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 | | HU2 | | Name: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI
C ACID | | Formula: | C34 H52 N4 O7 | | SMILES: | O=C(NC(C(=O)NC(C(=O)C(=O)NCC(=O)NC(C(=O)O)c1ccccc1)CCC)CC(C)C)C(C/C=C/CC(C)C)C(C)C | | InChi: | InChI=1S/C34H52N4O7/c1-8-14-26(30(40)33(43)35-20-28(39)38-29(34(44)45)24-16-10-9-11-17-24)36-32(42)27(19-22(4)5)37-31(41)25(23(6)7)18-13-12-15-21(2)3/h9-13,16-17,21-23,25-27,29H,8,14-15,18-20H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)(H,38,39)(H,44,45)/b13-12+/t25-,26-,27-,29-/m0/s1 | | Synonyms: | Ketoamide Inhibitor CVS4819, bound form | | Definition date: | 2007-01-09 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-7-methyl-2-(propan-2-yl)oct-4-enoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)ethanoic acid |
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 | | HUI | | Name: | (2S)-2-methyl-3-oxidanyl-propanoic acid | | Formula: | C4 H8 O3 | | SMILES: | C[CH](CO)C(O)=O | | InChi: | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 | | Synonyms: | (S)-3-hydroxyisobutyric acid | | Definition date: | 2017-08-29 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-11 | | Identifier: | (2~{S})-2-methyl-3-oxidanyl-propanoic acid |
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 | | HWD | | Name: | 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | | Formula: | C7 H9 N3 O4 | | SMILES: | O=C(O)C(N)CN1C=CC(=O)NC1=O | | InChi: | InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1 | | Synonyms: | WILLARDIINE | | Definition date: | 2002-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
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 | | HZH | | Name: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one | | Formula: | C11 H11 F3 O S | | SMILES: | FC(F)(F)C(=O)CSCCc1ccccc1 | | InChi: | InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 | | Synonyms: | 3-phenethylthio-1,1,1-trifluoropropan-2-one, PETFP | | Definition date: | 2008-06-11 | | Last modified: | 2020-06-17 | | Identifier: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one |
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 | | FLR | | Name: | (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid | | Formula: | C15 H13 F O2 | | SMILES: | C[CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2 | | InChi: | InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1 | | Synonyms: | Flurbirprofen, R-form | | Definition date: | 2011-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid |
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 | | FWD | | Name: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | | Formula: | C7 H8 F N3 O4 | | SMILES: | O=C(O)C(N)CN1C=C(F)C(=O)NC1=O | | InChi: | InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1 | | Synonyms: | FLUORO-WILLARDIINE | | Definition date: | 2002-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
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 | | FXM | | Name: | 2,2-dimethylpropanoyloxymethyl
(2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]-
3,6-dihydro-2H-1,3-thiazine-4-carboxylate | | Formula: | C23 H31 N5 O8 S2 | | SMILES: | CCC=C(C(=O)N[CH](C=O)[CH]1NC(=C(COC(N)=O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)n2 | | InChi: | InChI=1S/C23H31N5O8S2/c1-5-6-13(15-10-38-21(24)27-15)17(30)26-14(7-29)18-28-16(12(9-37-18)8-34-22(25)33)19(31)35-11-36-20(32)23(2,3)4/h6-7,10,14,18,28H,5,8-9,11H2,1-4H3,(H2,24,27)(H2,25,33)(H,26,30)/b13-6-/t14-,18-/m1/s1 | | Synonyms: | FLOMOX open form | | Definition date: | 2005-11-16 | | Last modified: | 2020-06-17 | | Identifier: | 2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate |
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 | | F0G | | Name: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine | | Formula: | C11 H15 N2 O7 P | | SMILES: | n1c(c(O)c(C=NC(C(O)=O)C)c(COP(O)(O)=O)c1)C | | InChi: | InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1 | | Synonyms: | PLP-Ala | | Definition date: | 2018-02-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-21 | | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine |
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 | | F1M | | Name: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide | | Formula: | C24 H32 Cl N3 O6 S | | SMILES: | O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)cc3 | | InChi: | InChI=1S/C24H32ClN3O6S/c1-16(2)34-24-17(12-18(25)13-22(24)32-3)14-28-10-8-19(9-11-28)27-23(29)15-33-20-4-6-21(7-5-20)35(26,30)31/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,27,29)(H2,26,30,31) | | Synonyms: | N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide | | Definition date: | 2008-03-11 | | Last modified: | 2020-06-17 | | Identifier: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide |
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 | | F1N | | Name: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide | | Formula: | C25 H34 Cl N3 O6 S | | SMILES: | O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)c(c3)C | | InChi: | InChI=1S/C25H34ClN3O6S/c1-16(2)35-25-18(12-19(26)13-23(25)33-4)14-29-9-7-20(8-10-29)28-24(30)15-34-22-6-5-21(11-17(22)3)36(27,31)32/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,28,30)(H2,27,31,32) | | Synonyms: | N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide | | Definition date: | 2008-03-23 | | Last modified: | 2020-06-17 | | Identifier: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide |
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 | | F27 | | Name: | 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid | | Formula: | C24 H18 N2 O4 | | SMILES: | O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCc4ccc(c3ccccc3)cc4 | | InChi: | InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29) | | Synonyms: | 6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picolinate | | Definition date: | 2009-10-20 | | Last modified: | 2020-06-17 | | Identifier: | 6-{2-[3-(biphenyl-4-yl)propanoyl]-1,3-oxazol-5-yl}pyridine-2-carboxylic acid |
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 | | IBC | | Name: | 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE | | Formula: | C11 H14 N2 O4 | | SMILES: | O=C(O)C(N)CC2=CCCCc1onc(O)c12 | | InChi: | InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1 | | Synonyms: | 2-AMINO-3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]-4-ISOXAZOLYL)PROPIONIC ACID | | Definition date: | 2004-12-16 | | Last modified: | 2020-06-17 | | Identifier: | 3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)-L-alanine |
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 | | IBN | | Name: | 2-METHYLPROPAN-1-AMINE | | Formula: | C4 H11 N | | SMILES: | NCC(C)C | | InChi: | InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 | | Synonyms: | ISOBUTYRONITRILE | | Definition date: | 2007-06-26 | | Last modified: | 2020-06-17 | | Identifier: | 2-methylpropan-1-amine |
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 | | IBP | | Name: | IBUPROFEN | | Formula: | C13 H18 O2 | | SMILES: | O=C(O)C(c1ccc(cc1)CC(C)C)C | | InChi: | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1 | | Synonyms: | 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID | | Definition date: | 2000-04-10 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid |
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 | | 4DH | | Name: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine | | Formula: | C21 H19 N5 O3 | | SMILES: | O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4nc3ccccc3n4 | | InChi: | InChI=1S/C21H19N5O3/c1-26-18(11-16(25-26)13-7-3-2-4-8-13)20(27)24-17(21(28)29)12-19-22-14-9-5-6-10-15(14)23-19/h2-11,17H,12H2,1H3,(H,22,23)(H,24,27)(H,28,29)/t17-/m1/s1 | | Synonyms: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-5-phenyl-2H-pyrazole-3-carbonyl)-amino]-propionic acid | | Definition date: | 2009-10-23 | | Last modified: | 2020-06-17 | | Identifier: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine |
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