 | | 24M | | Name: | (1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid | | Formula: | C12 H23 N O3 | | SMILES: | O=C(O)C1CCCC1C(O)C(N)CC(C)C | | InChi: | InChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1 | | Definition date: | 2011-02-15 | | Last modified: | 2024-09-27 | | Identifier: | (1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid |
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 | | 24N | | Name: | 1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one | | Formula: | C23 H25 F2 N9 O | | SMILES: | CCC(=O)N1CCC[CH](C1)n2nc(c3cn(CC(F)(F)c4ccccc4)nn3)c5c(N)ncnc25 | | InChi: | InChI=1S/C23H25F2N9O/c1-2-18(35)32-10-6-9-16(11-32)34-22-19(21(26)27-14-28-22)20(30-34)17-12-33(31-29-17)13-23(24,25)15-7-4-3-5-8-15/h3-5,7-8,12,14,16H,2,6,9-11,13H2,1H3,(H2,26,27,28)/t16-/m1/s1 | | Definition date: | 2021-06-15 | | Last modified: | 2024-09-27 | | Release date: | 2022-07-20 | | Identifier: | 1-[(3~{R})-3-[4-azanyl-3-[1-[2,2-bis(fluoranyl)-2-phenyl-ethyl]-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one |
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 | | 24O | | Name: | (1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid | | Formula: | C12 H21 N O4 | | SMILES: | O=C(O)C1CC(=O)CC1C(O)C(N)CC(C)C | | InChi: | InChI=1S/C12H21NO4/c1-6(2)3-10(13)11(15)8-4-7(14)5-9(8)12(16)17/h6,8-11,15H,3-5,13H2,1-2H3,(H,16,17)/t8-,9-,10+,11+/m1/s1 | | Definition date: | 2011-02-15 | | Last modified: | 2024-09-27 | | Identifier: | (1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid |
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 | | PUB | | Name: | PHYCOUROBILIN | | Formula: | C33 H42 N4 O6 | | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[CH]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2R)-4-ethyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-pyrrol-3-yl]propanoic acid |
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 | | GIS | | Name: | ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE | | Formula: | C12 H14 Cl N3 O4 | | SMILES: | O=C(OCC)C(Cl)c1c(cc(NC(=[N@H])N)cc1)C(=O)O | | InChi: | InChI=1S/C12H14ClN3O4/c1-2-20-11(19)9(13)7-4-3-6(16-12(14)15)5-8(7)10(17)18/h3-5,9H,2H2,1H3,(H,17,18)(H4,14,15,16)/t9-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 5-carbamimidamido-2-[(1S)-1-chloro-2-ethoxy-2-oxoethyl]benzoic acid |
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 | | GIT | | Name: | [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate | | Formula: | C20 H20 N4 O3 | | SMILES: | O=C(C)Cn1nnc(c2ccccc2)c1COC(=O)NCc1ccccc1 | | InChi: | InChI=1S/C20H20N4O3/c1-15(25)13-24-18(19(22-23-24)17-10-6-3-7-11-17)14-27-20(26)21-12-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,21,26) | | Definition date: | 2022-01-01 | | Last modified: | 2024-09-27 | | Release date: | 2022-01-12 | | Identifier: | [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate |
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 | | PUK | | Name: | N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine | | Formula: | C18 H22 N2 O2 | | SMILES: | O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1 | | Definition date: | 2009-02-06 | | Last modified: | 2024-09-27 | | Identifier: | N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine |
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 | | 25B | | Name: | (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide | | Formula: | C27 H34 Cl N O4 S | | SMILES: | O=C(c1ccc(Cl)cc1)C3C(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCCC)CCCC3 | | InChi: | InChI=1S/C27H34ClNO4S/c1-2-3-9-22(18-19-34(32,33)23-10-5-4-6-11-23)29-27(31)25-13-8-7-12-24(25)26(30)20-14-16-21(28)17-15-20/h4-6,10-11,14-17,22,24-25H,2-3,7-9,12-13,18-19H2,1H3,(H,29,31)/t22-,24+,25+/m0/s1 | | Synonyms: | (1R,2R)-2-(4-chlorobenzoyl)-N-((S,E)-1-(phenylsulfonyl)hept-1-en-3-yl)cyclohexanecarboxamide | | Definition date: | 2009-05-13 | | Last modified: | 2024-09-27 | | Identifier: | (1R,2R)-2-[(4-chlorophenyl)carbonyl]-N-{(1S)-1-[2-(phenylsulfonyl)ethyl]pentyl}cyclohexanecarboxamide |
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 | | GJ1 | | Name: | {6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol | | Formula: | C15 H17 N O3 | | SMILES: | c2(OCc1cccc(n1)CO)ccc(cc2C)OC | | InChi: | InChI=1S/C15H17NO3/c1-11-8-14(18-2)6-7-15(11)19-10-13-5-3-4-12(9-17)16-13/h3-8,17H,9-10H2,1-2H3 | | Definition date: | 2018-05-23 | | Last modified: | 2024-09-27 | | Release date: | 2018-09-05 | | Identifier: | {6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol |
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 | | PUO | | Name: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one | | Formula: | C24 H24 Cl F N2 O3 | | SMILES: | CCC(=O)N1CCN2Cc3cc(C#CC)c(c(F)c3OC[CH]2C1)c4c(O)cccc4Cl | | InChi: | InChI=1S/C24H24ClFN2O3/c1-3-6-15-11-16-12-27-9-10-28(20(30)4-2)13-17(27)14-31-24(16)23(26)21(15)22-18(25)7-5-8-19(22)29/h5,7-8,11,17,29H,4,9-10,12-14H2,1-2H3/t17-/m1/s1 | | Definition date: | 2022-10-04 | | Last modified: | 2024-09-27 | | Release date: | 2023-07-12 | | Identifier: | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one |
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 | | GJ3 | | Name: | benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) | | Formula: | C32 H49 N5 O7 | | SMILES: | CC(C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(=O)NN(CC1CCNC1=O)C(C)=O | | InChi: | InChI=1S/C32H49N5O7/c1-21(44-32(3,4)5)27(35-31(42)43-20-24-14-10-7-11-15-24)30(41)34-26(18-23-12-8-6-9-13-23)29(40)36-37(22(2)38)19-25-16-17-33-28(25)39/h7,10-11,14-15,21,23,25-27H,6,8-9,12-13,16-20H2,1-5H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)/t21-,25+,26+,27+/m1/s1 | | Definition date: | 2022-01-03 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-12 | | Identifier: | benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) |
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 | | GJ7 | | Name: | 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide | | Formula: | C26 H26 N4 O4 | | SMILES: | CCC(=O)N1C2CC(C1)N(C2)c5ccc(C(N)=O)c(Oc4ccc(Oc3ccccc3)cc4)n5 | | InChi: | InChI=1S/C26H26N4O4/c1-2-24(31)30-16-17-14-18(30)15-29(17)23-13-12-22(25(27)32)26(28-23)34-21-10-8-20(9-11-21)33-19-6-4-3-5-7-19/h3-13,17-18H,2,14-16H2,1H3,(H2,27,32)/t17-,18-/m0/s1 | | Definition date: | 2018-05-23 | | Last modified: | 2024-09-27 | | Release date: | 2018-09-05 | | Identifier: | 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide |
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 | | 25N | | Name: | (3,5-di-tert-butylphenyl)boronic acid | | Formula: | C14 H23 B O2 | | SMILES: | OB(O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C | | InChi: | InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3 | | Definition date: | 2013-08-06 | | Last modified: | 2024-09-27 | | Release date: | 2014-07-30 | | Identifier: | (3,5-di-tert-butylphenyl)boronic acid |
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 | | GJD | | Name: | 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide | | Formula: | C12 H18 N6 O2 | | SMILES: | c1(nc(N)c(C(=O)N)cn1)N2CC(NC(CC)=O)CC2 | | InChi: | InChI=1S/C12H18N6O2/c1-2-9(19)16-7-3-4-18(6-7)12-15-5-8(11(14)20)10(13)17-12/h5,7H,2-4,6H2,1H3,(H2,14,20)(H,16,19)(H2,13,15,17)/t7-/m0/s1 | | Definition date: | 2018-05-23 | | Last modified: | 2024-09-27 | | Release date: | 2018-10-17 | | Identifier: | 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide |
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 | | GJJ | | Name: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide | | Formula: | C24 H30 N6 O3 | | SMILES: | c2(Nc1ccc(C(NC(C)(C)C)=O)cc1)c(C(=O)N)ccc(n2)N3CCC(NC(=O)C=C)C3 | | InChi: | InChI=1S/C24H30N6O3/c1-5-20(31)26-17-12-13-30(14-17)19-11-10-18(21(25)32)22(28-19)27-16-8-6-15(7-9-16)23(33)29-24(2,3)4/h5-11,17H,1,12-14H2,2-4H3,(H2,25,32)(H,26,31)(H,27,28)(H,29,33)/t17-/m0/s1 | | Definition date: | 2018-05-23 | | Last modified: | 2024-09-27 | | Release date: | 2018-09-05 | | Identifier: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide |
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 | | PVA | | Name: | 1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID | | Formula: | C4 H12 N O3 P | | SMILES: | O=P(O)(O)C(N)C(C)C | | InChi: | InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | [(1R)-1-amino-2-methylpropyl]phosphonic acid |
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 | | 262 | | Name: | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE | | Formula: | C7 H7 O5 P | | SMILES: | O=P(Oc1ccccc1C=O)(O)O | | InChi: | InChI=1S/C7H7O5P/c8-5-6-3-1-2-4-7(6)12-13(9,10)11/h1-5H,(H2,9,10,11) | | Synonyms: | RU78262 | | Definition date: | 2003-06-20 | | Last modified: | 2024-09-27 | | Identifier: | 2-formylphenyl dihydrogen phosphate |
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 | | PVE | | Name: | (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM | | Formula: | C17 H18 N3 O7 | | SMILES: | O=C(O)CCC(=O)Nc1cc3c([n+]2c1NCCC2C(=O)O)cc(O)c(O)c3 | | InChi: | InChI=1S/C17H17N3O7/c21-12-6-8-5-9(19-14(23)1-2-15(24)25)16-18-4-3-10(17(26)27)20(16)11(8)7-13(12)22/h5-7,10H,1-4H2,(H5,18,19,21,22,23,24,25,26,27)/p+1/t10-/m0/s1 | | Definition date: | 2008-10-14 | | Last modified: | 2024-09-27 | | Identifier: | (1S)-1-carboxy-5-[(3-carboxypropanoyl)amino]-8,9-dihydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-11-ium |
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 | | PVG | | Name: | Phycoviolobilin, green light-absorbing form | | Formula: | C33 H40 N4 O6 | | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,15,27,35H,7-12,14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,28-15-/t27-/m0/s1 | | Definition date: | 2012-11-12 | | Last modified: | 2024-09-27 | | Release date: | 2013-01-25 | | Identifier: | 3-[5-[[(2S)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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 | | PVH | | Name: | HISTIDINE-METHYL-ESTER | | Formula: | C7 H12 N3 O2 | | SMILES: | O=C(OC)C(N)Cc1cnc[nH+]1 | | InChi: | InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/p+1/t6-/m0/s1 | | Definition date: | 2001-04-02 | | Last modified: | 2024-09-27 | | Identifier: | methyl 3-(1H-imidazol-3-ium-4-yl)-L-alaninate |
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 | | PVI | | Name: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid | | Formula: | C7 H11 N O4 | | SMILES: | N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O | | InChi: | InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/t4-,5+,6+/m0/s1 | | Synonyms: | (4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid | | Definition date: | 2022-10-04 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-15 | | Identifier: | (4~{R},5~{R})-3-azanyl-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid |
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 | | GJY | | Name: | methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate | | Formula: | C19 H34 F O2 P | | SMILES: | O=P(OC)(F)CCCCCCCCC=C/CC=C/C[C@H]=[C@H]CC | | InChi: | InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3/b5-4-,8-7-,11-10-/t23-/m0/s1 | | Synonyms: | Methyl alpha-Linolenyl Fluorophosphonate (MLnFP) | | Definition date: | 2018-05-24 | | Last modified: | 2024-09-27 | | Release date: | 2019-03-27 | | Identifier: | methyl (S)-(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ylphosphonofluoridate |
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 | | PVN | | Name: | PHYCOVIOLOBILIN | | Formula: | C33 H40 N4 O6 | | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H40N4O7/c1-7-20-15(2)25(36-33(20)44)12-23-16(3)21(8-10-29(39)40)26(34-23)14-27-22(9-11-30(41)42)17(4)24(35-27)13-28-31(19(6)38)18(5)32(43)37-28/h12,14,19,28,35,38H,7-11,13H2,1-6H3,(H,36,44)(H,37,43)(H,39,40)(H,41,42)/b25-12+,26-14-/t19?,28-/m1/s1 | | Synonyms: | Phycoviolobilin, bound form | | Definition date: | 2006-11-02 | | Last modified: | 2024-09-27 | | Identifier: | 3-[5-[[(2R)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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 | | GK2 | | Name: | [(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid | | Formula: | C9 H19 B N2 O3 | | SMILES: | CC(C)[CH](N)C(=O)N1CCC[CH]1B(O)O | | InChi: | InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1 | | Definition date: | 2018-09-19 | | Last modified: | 2024-09-27 | | Release date: | 2019-07-31 | | Identifier: | [(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid |
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 | | PVS | | Name: | (ethenylsulfonyl)benzene | | Formula: | C8 H8 O2 S | | SMILES: | ethenyl phenyl sulfone | | InChi: | InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2 | | Synonyms: | Phenyl Vinyl Sulphone | | Definition date: | 2008-07-15 | | Last modified: | 2024-09-27 | | Identifier: | (ethenylsulfonyl)benzene |
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