 | | HAR | | Name: | N-OMEGA-HYDROXY-L-ARGININE | | Formula: | C6 H14 N4 O3 | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NO | | InChi: | InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N~5~-(N-hydroxycarbamimidoyl)-L-ornithine |
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 | | 35Z | | Name: | 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one | | Formula: | C25 H25 N5 O3 | | SMILES: | COc1cccc(c1)c2nccc(n2)c3[nH]c4c(c3)C(=O)NCC45CCN(CC5)C(=O)C=C | | InChi: | InChI=1S/C25H25N5O3/c1-3-21(31)30-11-8-25(9-12-30)15-27-24(32)18-14-20(28-22(18)25)19-7-10-26-23(29-19)16-5-4-6-17(13-16)33-2/h3-7,10,13-14,28H,1,8-9,11-12,15H2,2H3,(H,27,32) | | Definition date: | 2021-06-23 | | Last modified: | 2024-09-27 | | Release date: | 2021-10-20 | | Identifier: | 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one |
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 | | 368 | | Name: | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | | Formula: | C18 H21 B N4 O5 | | SMILES: | O=C(OC(c1ccc(cc1)B2OCC(O2)CO)CNC(=[N@H])N)c3cccnc3 | | InChi: | InChI=1S/C18H21BN4O5/c20-18(21)23-9-16(27-17(25)13-2-1-7-22-8-13)12-3-5-14(6-4-12)19-26-11-15(10-24)28-19/h1-8,15-16,24H,9-11H2,(H4,20,21,23)/t15-,16+/m1/s1 | | Definition date: | 2005-05-20 | | Last modified: | 2024-09-27 | | Identifier: | (1R)-2-carbamimidamido-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl pyridine-3-carboxylate |
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 | | HB4 | | Name: | N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide | | Formula: | C16 H15 N5 | | SMILES: | c41c(CCC1NC=N)ccc(c3c2ccnc2ncn3)c4 | | InChi: | InChI=1S/C16H15N5/c17-8-19-14-4-3-10-1-2-11(7-13(10)14)15-12-5-6-18-16(12)21-9-20-15/h1-2,5-9,14H,3-4H2,(H2,17,19)(H,18,20,21)/t14-/m0/s1 | | Definition date: | 2018-06-21 | | Last modified: | 2024-09-27 | | Release date: | 2018-11-28 | | Identifier: | N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide |
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 | | 36D | | Name: | N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-L-norvaline | | Formula: | C13 H20 N2 O4 S | | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc1sccc1)CCC | | InChi: | InChI=1S/C13H20N2O4S/c1-2-4-10(13(18)19)15-12(17)11(16)9(14)7-8-5-3-6-20-8/h3,5-6,9-11,16H,2,4,7,14H2,1H3,(H,15,17)(H,18,19)/t9-,10-,11+/m0/s1 | | Definition date: | 2014-06-24 | | Last modified: | 2024-09-27 | | Release date: | 2015-07-29 | | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butanoyl]-L-norvaline |
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 | | HB5 | | Name: | (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide | | Formula: | C28 H33 N5 O3 S2 | | SMILES: | CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3ccc(cc3)[CH]4C[C]4(NC(=O)[CH](N)Cc5sccc5)C=N | | InChi: | InChI=1S/C28H33N5O3S2/c1-32-12-14-33(15-13-32)38(35,36)24-10-8-21(9-11-24)20-4-6-22(7-5-20)25-18-28(25,19-29)31-27(34)26(30)17-23-3-2-16-37-23/h2-11,16,19,25-26,29H,12-15,17-18,30H2,1H3,(H,31,34)/b29-19+/t25-,26+,28+/m1/s1 | | Definition date: | 2018-12-03 | | Last modified: | 2024-09-27 | | Release date: | 2019-04-24 | | Identifier: | (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide |
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 | | HBE | | Name: | (2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol | | Formula: | C7 H12 O5 | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12 | | InChi: | InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3+,4+,5-,6+,7-/m1/s1 | | Definition date: | 2018-12-03 | | Last modified: | 2024-09-27 | | Release date: | 2019-10-09 | | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol |
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 | | HBX | | Name: | benzaldehyde | | Formula: | C7 H6 O | | SMILES: | O=Cc1ccccc1 | | InChi: | InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H | | Definition date: | 2009-02-26 | | Last modified: | 2024-09-27 | | Identifier: | benzaldehyde |
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 | | HC4 | | Name: | 4'-HYDROXYCINNAMIC ACID | | Formula: | C9 H8 O3 | | SMILES: | O=C(O)/C=C/c1ccc(O)cc1 | | InChi: | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ | | Synonyms: | PARA-COUMARIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid |
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 | | 37O | | Name: | N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide | | Formula: | C35 H40 N8 O4 | | SMILES: | O=C(Nc1ccc(cc1)CN4c2nc(ncc2CN(c3cc(OC)cc(OC)c3)C4=O)Nc5ccc(cc5)N6CCN(C)CC6)CC | | InChi: | InChI=1S/C35H40N8O4/c1-5-32(44)37-26-8-6-24(7-9-26)22-43-33-25(23-42(35(43)45)29-18-30(46-3)20-31(19-29)47-4)21-36-34(39-33)38-27-10-12-28(13-11-27)41-16-14-40(2)15-17-41/h6-13,18-21H,5,14-17,22-23H2,1-4H3,(H,37,44)(H,36,38,39) | | Definition date: | 2014-07-01 | | Last modified: | 2024-09-27 | | Release date: | 2014-10-29 | | Identifier: | N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide |
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 | | 37Q | | Name: | N-{1-[6-(phenylamino)pyrazin-2-yl]-1H-benzimidazol-6-yl}prop-2-enamide | | Formula: | C20 H16 N6 O | | SMILES: | O=C(C=C)Nc1ccc2ncn(c2c1)c4nc(Nc3ccccc3)cnc4 | | InChi: | InChI=1S/C20H16N6O/c1-2-20(27)24-15-8-9-16-17(10-15)26(13-22-16)19-12-21-11-18(25-19)23-14-6-4-3-5-7-14/h2-13H,1H2,(H,23,25)(H,24,27) | | Definition date: | 2014-07-01 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | N-{1-[6-(phenylamino)pyrazin-2-yl]-1H-benzimidazol-6-yl}prop-2-enamide |
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 | | HCI | | Name: | HYDROCINNAMIC ACID | | Formula: | C9 H10 O2 | | SMILES: | O=C(O)CCc1ccccc1 | | InChi: | InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) | | Synonyms: | 3PP | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-phenylpropanoic acid |
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 | | HCL | | Name: | (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid | | Formula: | C8 H8 Cl N O4 | | SMILES: | N[CH](C(O)=O)c1cc(O)cc(O)c1Cl | | InChi: | InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1 | | Definition date: | 2012-03-05 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid |
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 | | HCO | | Name: | 2-ACETYL-PROTOPORPHYRIN IX | | Formula: | C34 H34 Fe N4 O5 | | SMILES: | O=C(O)CCC1=C(C2=CC4=C(C(C3=CC5=C(C)C(C=C)C6=Cc8c(c(c7C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)C(O)=C)C)C | | InChi: | InChI=1S/C34H34N4O5.Fe/c1-7-21-16(2)26-14-31-34(20(6)39)19(5)27(38-31)12-24-17(3)22(8-10-32(40)41)29(36-24)15-30-23(9-11-33(42)43)18(4)25(37-30)13-28(21)35-26 | | Definition date: | 2003-09-15 | | Last modified: | 2024-09-27 | | Identifier: | {3,3'-[(7R,12S)-7-ethenyl-12-(1-hydroxyethenyl)-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron |
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 | | HCS | | Name: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID | | Formula: | C4 H9 N O2 S | | SMILES: | O=C(O)C(N)CCS | | InChi: | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1 | | Synonyms: | L-Homocysteine | | Definition date: | 2001-08-14 | | Last modified: | 2024-09-27 | | Identifier: | L-homocysteine |
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 | | 38A | | Name: | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol | | Formula: | C12 H18 O3 | | SMILES: | OCc1c(c(c(c(c1C)CO)C)CO)C | | InChi: | InChI=1S/C12H18O3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h13-15H,4-6H2,1-3H3 | | Definition date: | 2014-07-03 | | Last modified: | 2024-09-27 | | Release date: | 2015-02-04 | | Identifier: | (2,4,6-trimethylbenzene-1,3,5-triyl)trimethanol |
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 | | HD0 | | Name: | (2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid | | Formula: | C10 H12 N4 O4 | | SMILES: | O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2 | | InChi: | InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1 | | Definition date: | 2010-11-01 | | Last modified: | 2024-09-27 | | Release date: | 2022-06-29 | | Identifier: | (2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid |
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 | | HD5 | | Name: | [5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid | | Formula: | C9 H10 B N O2 S | | SMILES: | NCc1ccc2sc(cc2c1)B(O)O | | InChi: | InChI=1S/C9H10BNO2S/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4,12-13H,5,11H2 | | Definition date: | 2018-12-03 | | Last modified: | 2024-09-27 | | Release date: | 2019-04-24 | | Identifier: | [5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid |
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 | | HDB | | Name: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | | Formula: | C11 H16 B N3 O3 | | SMILES: | OCC1OB(OC1)c2ccc(cc2)CNC(=[N@H])N | | InChi: | InChI=1S/C11H16BN3O3/c13-11(14)15-5-8-1-3-9(4-2-8)12-17-7-10(6-16)18-12/h1-4,10,16H,5-7H2,(H4,13,14,15)/t10-/m1/s1 | | Definition date: | 2005-06-02 | | Last modified: | 2024-09-27 | | Identifier: | 1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]benzyl}guanidine |
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 | | HDE | | Name: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE 17R, 18S | | Formula: | C34 H38 Fe N4 O5 | | SMILES: | O=C(O)CCc9c(c4n6c9C=C8N5C(=Cc1c(c(c3n1[Fe]56n2c(c(c(c2C3)C)CC)C4)CC)C)C(O)(C)C87OC(=O)CC7)C | | InChi: | InChI=1S/C34H38N4O5.Fe/c1-7-20-17(3)23-13-27-21(8-2)18(4)25(37-27)15-29-33(6,42)34(12-11-32(41)43-34)30(38-29)16-28-22(9-10-31(39)40)19(5)24(36-28)14-26(20)35-23 | | Definition date: | 2010-10-20 | | Last modified: | 2024-09-27 | | Identifier: | {3-[(2R,5'S)-10',15'-diethyl-5'-hydroxy-5',9',14',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),2,6,8,10,13,15,18]octaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron |
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 | | 38X | | Name: | N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide | | Formula: | C37 H46 N4 O5 | | SMILES: | O=C(C(C)CO)C(NC(=O)C(NC(=O)C(NC(=O)C2=C(c1ccccc1C2)C)C)Cc4c3ccccc3nc4)CC5CCCCC5 | | InChi: | InChI=1S/C37H46N4O5/c1-22(21-42)34(43)32(17-25-11-5-4-6-12-25)40-37(46)33(19-27-20-38-31-16-10-9-15-29(27)31)41-35(44)24(3)39-36(45)30-18-26-13-7-8-14-28(26)23(30)2/h7-10,13-16,20,22,24-25,32-33,38,42H,4-6,11-12,17-19,21H2,1-3H3,(H,39,45)(H,40,46)(H,41,44)/t22-,24-,32+,33+/m1/s1 | | Definition date: | 2014-07-09 | | Last modified: | 2024-09-27 | | Release date: | 2014-07-23 | | Identifier: | N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide |
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 | | HDS | | Name: | 1-HEXADECANOSULFONIC ACID | | Formula: | C16 H34 O3 S | | SMILES: | O=S(=O)(O)CCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | hexadecane-1-sulfonic acid |
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 | | HDZ | | Name: | NITROGEN MOLECULE | | Formula: | N2 | | SMILES: | N#N | | InChi: | InChI=1S/N2/c1-2 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | nitrogen |
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 | | HE0 | | Name: | (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C17 H28 N4 O7 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)CCCCC(C(=O)O)NC(=O)CN | | InChi: | InChI=1S/C17H28N4O7S/c1-17(2)13(16(27)28)21-14(29-17)10(8-22)20-11(23)6-4-3-5-9(15(25)26)19-12(24)7-18/h8-10,13-14,21H,3-7,18H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)(H,27,28)/t9-,10+,13-,14+/m0/s1 | | Synonyms: | Penicillin analog, bound/open form | | Definition date: | 2012-02-28 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | HE4 | | Name: | HEPTAN-1-OL | | Formula: | C7 H16 O | | SMILES: | OCCCCCCC | | InChi: | InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 | | Definition date: | 2005-05-16 | | Last modified: | 2024-09-27 | | Identifier: | heptan-1-ol |
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