 | | OG9 | | Name: | (pyren-1-yl)acetic acid | | Formula: | C18 H12 O2 | | SMILES: | O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34 | | InChi: | InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20) | | Definition date: | 2022-04-29 | | Last modified: | 2024-09-27 | | Release date: | 2023-05-10 | | Identifier: | (pyren-1-yl)acetic acid |
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 | | UIA | | Name: | [(2~{R})-1-azanylpropan-2-yl]carbamic acid | | Formula: | C4 H10 N2 O2 | | SMILES: | C[CH](CN)NC(O)=O | | InChi: | InChI=1S/C4H10N2O2/c1-3(2-5)6-4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m1/s1 | | Definition date: | 2019-10-12 | | Last modified: | 2024-09-27 | | Release date: | 2021-02-17 | | Identifier: | [(2~{R})-1-azanylpropan-2-yl]carbamic acid |
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 | | O12 | | Name: | N~5~-dodecanoyl-L-ornithine | | Formula: | C17 H34 N2 O3 | | SMILES: | O=C(NCCCC(N)C(=O)O)CCCCCCCCCCC | | InChi: | InChI=1S/C17H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16(20)19-14-11-12-15(18)17(21)22/h15H,2-14,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1 | | Definition date: | 2008-02-25 | | Last modified: | 2024-09-27 | | Identifier: | N~5~-dodecanoyl-L-ornithine |
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 | | POL | | Name: | N-PROPANOL | | Formula: | C3 H8 O | | SMILES: | OCCC | | InChi: | InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 | | Synonyms: | 1-PROPONOL | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | propan-1-ol |
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 | | MEG | | Name: | (2S,3S)-2-azanyl-3-methyl-pentanedioic acid | | Formula: | C6 H11 N O4 | | SMILES: | O=C(O)C(N)C(CC(=O)O)C | | InChi: | InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5-/m0/s1 | | Synonyms: | (3S)-3-methyl-L-glutamic acid | | Definition date: | 2004-05-16 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-methyl-L-glutamic acid |
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 | | POM | | Name: | CIS-5-METHYL-4-OXOPROLINE | | Formula: | C6 H9 N O3 | | SMILES: | O=C1C(NC(C(=O)O)C1)C | | InChi: | InChI=1S/C6H9NO3/c1-3-5(8)2-4(7-3)6(9)10/h3-4,7H,2H2,1H3,(H,9,10)/t3-,4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (5S)-5-methyl-4-oxo-L-proline |
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 | | YX7 | | Name: | [(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid | | Formula: | C9 H19 B N2 O4 | | SMILES: | O=C(NC(CC(N)=O)B(O)O)CCCCC | | InChi: | InChI=1S/C9H19BN2O4/c1-2-3-4-5-9(14)12-7(10(15)16)6-8(11)13/h7,15-16H,2-6H2,1H3,(H2,11,13)(H,12,14)/t7-/m1/s1 | | Definition date: | 2021-04-05 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-28 | | Identifier: | [(1S)-3-amino-1-(hexanoylamino)-3-oxopropyl]boronic acid |
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 | | U4U | | Name: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one | | Formula: | C23 H22 Cl F N2 O3 | | SMILES: | Oc1cccc(Cl)c1c1c(C#C)cc2CN3CCN(CC3COc2c1F)C(=O)CC | | InChi: | InChI=1S/C23H22ClFN2O3/c1-3-14-10-15-11-26-8-9-27(19(29)4-2)12-16(26)13-30-23(15)22(25)20(14)21-17(24)6-5-7-18(21)28/h1,5-7,10,16,28H,4,8-9,11-13H2,2H3/t16-/m1/s1 | | Definition date: | 2022-08-04 | | Last modified: | 2024-09-27 | | Release date: | 2022-08-17 | | Identifier: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one |
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 | | 4CB | | Name: | 4-CARBOXYPHENYLBORONIC ACID | | Formula: | C7 H7 B O4 | | SMILES: | O=C(O)c1ccc(B(O)O)cc1 | | InChi: | InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10) | | Definition date: | 2001-11-20 | | Last modified: | 2024-09-27 | | Identifier: | 4-(dihydroxyboranyl)benzoic acid |
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 | | YJG | | Name: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide | | Formula: | C20 H20 Cl N5 O4 S | | SMILES: | O=C(CN1N=CC=C(Cl)C1=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1 | | InChi: | InChI=1S/C20H20ClN5O4S/c1-14-5-6-16(25-19(27)13-26-20(28)17(21)8-10-23-26)12-18(14)31(29,30)24-11-7-15-4-2-3-9-22-15/h2-6,8-10,12,24H,7,11,13H2,1H3,(H,25,27) | | Definition date: | 2021-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2021-03-17 | | Identifier: | 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide |
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 | | OGC | | Name: | gamma-N-methyl-beta-OH-histidine | | Formula: | C7 H11 N3 O3 | | SMILES: | Cn1cncc1[CH](O)[CH](N)C(O)=O | | InChi: | InChI=1S/C7H11N3O3/c1-10-3-9-2-4(10)6(11)5(8)7(12)13/h2-3,5-6,11H,8H2,1H3,(H,12,13)/t5-,6-/m1/s1 | | Synonyms: | (2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid | | Definition date: | 2022-09-07 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-16 | | Identifier: | (2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid |
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 | | XSN | | Name: | L-alpha-asparagine | | Formula: | C4 H8 N2 O3 | | SMILES: | O=C(N)C(N)CC(=O)O | | InChi: | InChI=1S/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1 | | Definition date: | 2011-05-13 | | Last modified: | 2024-09-27 | | Identifier: | L-alpha-asparagine |
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 | | KST | | Name: | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | | Formula: | C11 H16 N2 O4 S | | SMILES: | O=C(O)C(N)CCCCNc1cc(sc1)C(=O)O | | InChi: | InChI=1S/C11H16N2O4S/c12-8(10(14)15)3-1-2-4-13-7-5-9(11(16)17)18-6-7/h5-6,8,13H,1-4,12H2,(H,14,15)(H,16,17)/t8-/m0/s1 | | Definition date: | 2007-06-12 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-(5-carboxythiophen-3-yl)-L-lysine |
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 | | POP | | Name: | PYROPHOSPHATE 2- | | Formula: | H2 O7 P2 | | SMILES: | [O-]P(=O)(O)OP([O-])(=O)O | | InChi: | InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | dihydrogen diphosphate |
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 | | KSU | | Name: | 1-phenylpyrrolidine-2,5-dione | | Formula: | C10 H9 N O2 | | SMILES: | O=C1CCC(=O)N1c2ccccc2 | | InChi: | InChI=1S/C10H9NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2 | | Synonyms: | N-Phenylmaleimide (reacted form of) | | Definition date: | 2022-06-07 | | Last modified: | 2024-09-27 | | Release date: | 2023-06-14 | | Identifier: | 1-phenylpyrrolidine-2,5-dione |
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 | | YJI | | Name: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide | | Formula: | C13 H27 N2 O8 P S | | SMILES: | O=C(NCCSCCO)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O | | InChi: | InChI=1S/C13H27N2O8PS/c1-13(2,9-23-24(20,21)22)11(18)12(19)15-4-3-10(17)14-5-7-25-8-6-16/h11,16,18H,3-9H2,1-2H3,(H,14,17)(H,15,19)(H2,20,21,22)/t11-/m0/s1 | | Definition date: | 2023-02-08 | | Last modified: | 2024-09-27 | | Release date: | 2023-06-14 | | Identifier: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide |
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 | | 4CF | | Name: | 4-cyano-L-phenylalanine | | Formula: | C10 H10 N2 O2 | | SMILES: | O=C(O)C(N)Cc1ccc(C#N)cc1 | | InChi: | InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2010-09-07 | | Last modified: | 2024-09-27 | | Identifier: | 4-cyano-L-phenylalanine |
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 | | ZLF | | Name: | S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE | | Formula: | C11 H14 F N O2 S | | SMILES: | Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1 | | InChi: | InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1 | | Synonyms: | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-04-24 | | Identifier: | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid |
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 | | MEN | | Name: | N-METHYL ASPARAGINE | | Formula: | C5 H10 N2 O3 | | SMILES: | O=C(NC)CC(N)C(=O)O | | InChi: | InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-methyl-L-asparagine |
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 | | 4CG | | Name: | (1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid | | Formula: | C9 H16 N O6 P | | SMILES: | C1(/C(CCC1)C(=O)O)=C/C(COP(O)(O)=O)N | | InChi: | InChI=1S/C9H16NO6P/c10-7(5-16-17(13,14)15)4-6-2-1-3-8(6)9(11)12/h4,7-8H,1-3,5,10H2,(H,11,12)(H2,13,14,15)/b6-4-/t7-,8-/m1/s1 | | Definition date: | 2015-02-27 | | Last modified: | 2024-09-27 | | Release date: | 2015-09-16 | | Identifier: | (1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid |
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 | | SWW | | Name: | (2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid | | Formula: | C5 H11 N O3 S | | SMILES: | N[CH](CSCCO)C(O)=O | | InChi: | InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m1/s1 | | Synonyms: | S-(2-hydroxyethyl)-D-cysteine | | Definition date: | 2020-12-02 | | Last modified: | 2024-09-27 | | Release date: | 2022-01-12 | | Identifier: | (2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid |
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 | | XSR | | Name: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium | | Formula: | C39 H47 F3 N3 O5 Si | | SMILES: | O=C(O)c1c(F)c(F)c(C(=O)NCCOCCOCCCCCC)c(F)c1C=1c2ccc(cc2[Si](C)(C)C2=CC(C=CC=12)=[N+]1/CCC1)N1CCC1 | | InChi: | InChI=1S/C39H46F3N3O5Si/c1-4-5-6-7-19-49-21-22-50-20-14-43-38(46)34-35(40)32(33(39(47)48)36(41)37(34)42)31-27-12-10-25(44-15-8-16-44)23-29(27)51(2,3)30-24-26(11-13-28(30)31)45-17-9-18-45/h10-13,23-24H,4-9,14-22H2,1-3H3,(H-,43,46,47,48)/p+1 | | Definition date: | 2023-11-09 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-05 | | Identifier: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium |
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 | | U50 | | Name: | 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide | | Formula: | C23 H29 Cl2 N7 O2 | | SMILES: | CCC(=O)N1CC(C1)NC(=O)c1c(Cl)nc(CNc2n[NH]c3cc(Cl)c(cc32)C(C)(C)C)n1C | | InChi: | InChI=1S/C23H29Cl2N7O2/c1-6-18(33)32-10-12(11-32)27-22(34)19-20(25)28-17(31(19)5)9-26-21-13-7-14(23(2,3)4)15(24)8-16(13)29-30-21/h7-8,12H,6,9-11H2,1-5H3,(H,27,34)(H2,26,29,30) | | Definition date: | 2022-08-04 | | Last modified: | 2024-09-27 | | Release date: | 2022-08-17 | | Identifier: | 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide |
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 | | POS | | Name: | 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL | | Formula: | C27 H32 N4 O6 S | | SMILES: | O=C(NC(C(=O)NCC(O)CNS(=O)(=O)c2ccc(Oc1ccccc1)cc2)CC(C)C)c3ccncc3 | | InChi: | InChI=1S/C27H32N4O6S/c1-19(2)16-25(31-26(33)20-12-14-28-15-13-20)27(34)29-17-21(32)18-30-38(35,36)24-10-8-23(9-11-24)37-22-6-4-3-5-7-22/h3-15,19,21,25,30,32H,16-18H2,1-2H3,(H,29,34)(H,31,33)/t21-,25+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-[(2R)-2-hydroxy-3-{[(4-phenoxyphenyl)sulfonyl]amino}propyl]-N~2~-(pyridin-4-ylcarbonyl)-L-leucinamide |
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 | | POT | | Name: | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | | Formula: | C11 H16 Cl O3 P | | SMILES: | ClP(=O)(OC(COc1ccccc1)CC)C | | InChi: | InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16+/m0/s1 | | Synonyms: | (RP,SP)-O-(2S)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE | | Definition date: | 2006-11-20 | | Last modified: | 2024-09-27 | | Identifier: | (1S)-1-(phenoxymethyl)propyl (R)-methylphosphonochloridoate |
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