| I4O | Name: | Histidine oxo-vanadium complex | Formula: | C6 H8 N3 O6 V | SMILES: | N[CH](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O | InChi: | InChI=1S/C6H9N3O2.4O.V/c7-5(6(10)11)1-4-2-8-3-9-4 | Synonyms: | [4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium | Definition date: | 2022-02-11 | Last modified: | 2024-09-27 | Release date: | 2023-02-01 | Identifier: | [4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium |
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| I54 | Name: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C21 H30 Cl N3 O8 S | SMILES: | CC(C)CC(NC(=O)OCc1ccccc1Cl)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C21H30ClN3O8S/c1-12(2)9-16(25-21(29)33-11-14-5-3-4-6-15(14)22)19(27)24-17(20(28)34(30,31)32)10-13-7-8-23-18(13)26/h3-6,12-13,16-17,20,28H,7-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,16-,17-,20?/m0/s1 | Definition date: | 2022-01-19 | Last modified: | 2024-09-27 | Release date: | 2022-05-04 | Identifier: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| I5M | Name: | 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine | Formula: | C27 H44 N9 O11 P S2 | SMILES: | O=P(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C1CCCN1 | InChi: | InChI=1S/C27H44N9O11PS2/c1-27(2,12-46-48(42)43)22(40)25(41)31-7-5-18(37)30-8-9-49-17(15-4-3-6-29-15)11-50(44,45)35-10-16-20(38)21(39)26(47-16)36-14-34-19-23(28)32-13-33-24(19)36/h13-17,20-22,26,29,35,38-40H,3-12H2,1-2H3,(H,30,37)(H,31,41)(H2,28,32,33)/t15-,16+,17+,20+,21+,22-,26+/m0/s1 | Definition date: | 2022-01-13 | Last modified: | 2024-09-27 | Release date: | 2022-07-20 | Identifier: | 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine |
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| I64 | Name: | benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name) | Formula: | C25 H39 N5 O6 | SMILES: | CCC(=O)N(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C | InChi: | InChI=1S/C25H39N5O6/c1-6-21(32)30(13-12-20(26)31)29-23(33)19(14-16(2)3)27-24(34)22(17(4)5)28-25(35)36-15-18-10-8-7-9-11-18/h7-11,16-17,19,22H,6,12-15H2,1-5H3,(H2,26,31)(H,27,34)(H,28,35)(H,29,33)/t19-,22-/m0/s1 | Definition date: | 2021-10-13 | Last modified: | 2024-09-27 | Release date: | 2024-07-10 | Identifier: | benzyl [(2S)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-4-methyl-1-oxopentan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]carbamate (non-preferred name) |
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| I65 | Name: | benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) | Formula: | C31 H49 N5 O7 | SMILES: | CCC(=O)N(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)CC1CCCCC1 | InChi: | InChI=1S/C31H49N5O7/c1-6-26(38)36(18-17-25(32)37)35-28(39)24(19-22-13-9-7-10-14-22)33-29(40)27(21(2)43-31(3,4)5)34-30(41)42-20-23-15-11-8-12-16-23/h8,11-12,15-16,21-22,24,27H,6-7,9-10,13-14,17-20H2,1-5H3,(H2,32,37)(H,33,40)(H,34,41)(H,35,39)/t21-,24+,27+/m1/s1 | Definition date: | 2021-10-13 | Last modified: | 2024-09-27 | Release date: | 2023-01-25 | Identifier: | benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) |
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| I68 | Name: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | Formula: | C25 H47 N5 O5 | SMILES: | CC(C)(C)NC(=O)NC(C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)C(C)(C)C | InChi: | InChI=1S/C25H47N5O5/c1-23(2,3)13-17(20(33)27-16(14-31)12-15-10-11-26-19(15)32)28-21(34)18(24(4,5)6)29-22(35)30-25(7,8)9/h15-18,31H,10-14H2,1-9H3,(H,26,32)(H,27,33)(H,28,34)(H2,29,30,35)/t15-,16-,17-,18+/m0/s1 | Definition date: | 2021-09-16 | Last modified: | 2024-09-27 | Release date: | 2022-07-27 | Identifier: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
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| I69 | Name: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name) | Formula: | C25 H43 N5 O5 | SMILES: | O=C(C(NC(=O)NC(C)(C)C)C(C)(C)C)N1CC2(CC2)CC1C(=O)NC(CC1CCNC1=O)CO | InChi: | InChI=1S/C25H43N5O5/c1-23(2,3)18(28-22(35)29-24(4,5)6)21(34)30-14-25(8-9-25)12-17(30)20(33)27-16(13-31)11-15-7-10-26-19(15)32/h15-18,31H,7-14H2,1-6H3,(H,26,32)(H,27,33)(H2,28,29,35)/t15-,16-,17-,18+/m0/s1 | Definition date: | 2021-09-16 | Last modified: | 2024-09-27 | Release date: | 2022-07-27 | Identifier: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name) |
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| I6O | Name: | 1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole | Formula: | C20 H27 N3 | SMILES: | C1CC(Cn2cc(nc2C2CCCN2)c2ccccc2)CCC1 | InChi: | InChI=1S/C20H27N3/c1-3-8-16(9-4-1)14-23-15-19(17-10-5-2-6-11-17)22-20(23)18-12-7-13-21-18/h2,5-6,10-11,15-16,18,21H,1,3-4,7-9,12-14H2/t18-/m0/s1 | Definition date: | 2023-07-28 | Last modified: | 2024-09-27 | Release date: | 2024-05-29 | Identifier: | 1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole |
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| I6T | Name: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde | Formula: | C29 H34 Cl N5 O3 | SMILES: | CN1CCCC1COc1nc2CN(CCc2c(n1)N1CCC(C=O)C(O)C1)c1cccc2cccc(Cl)c21 | InChi: | InChI=1S/C29H34ClN5O3/c1-33-12-4-7-21(33)18-38-29-31-24-15-34(25-9-3-6-19-5-2-8-23(30)27(19)25)14-11-22(24)28(32-29)35-13-10-20(17-36)26(37)16-35/h2-3,5-6,8-9,17,20-21,26,37H,4,7,10-16,18H2,1H3/t20-,21-,26-/m0/s1 | Synonyms: | (1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[4.2.0]octan-7-one | Definition date: | 2022-01-20 | Last modified: | 2024-09-27 | Release date: | 2022-08-03 | Identifier: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde |
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| I70 | Name: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C27 H46 N6 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C27H46N6O6/c1-25(2,3)19(31-24(39)32-26(4,5)6)23(38)33-12-14-16(27(14,7)8)17(33)22(37)30-15(18(34)20(28)35)11-13-9-10-29-21(13)36/h13-19,34H,9-12H2,1-8H3,(H2,28,35)(H,29,36)(H,30,37)(H2,31,32,39)/t13-,14-,15-,16-,17-,18+,19+/m0/s1 | Definition date: | 2021-09-16 | Last modified: | 2024-09-27 | Release date: | 2022-03-09 | Identifier: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| I71 | Name: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C29 H50 N6 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCC)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C | InChi: | InChI=1S/C29H50N6O6/c1-10-30-24(39)20(36)17(13-15-11-12-31-22(15)37)32-23(38)19-18-16(29(18,8)9)14-35(19)25(40)21(27(2,3)4)33-26(41)34-28(5,6)7/h15-21,36H,10-14H2,1-9H3,(H,30,39)(H,31,37)(H,32,38)(H2,33,34,41)/t15-,16-,17-,18-,19-,20+,21+/m0/s1 | Definition date: | 2021-09-16 | Last modified: | 2024-09-27 | Release date: | 2022-07-27 | Identifier: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| I7F | Name: | O-hydroxy-L-serine | Formula: | C3 H7 N O4 | SMILES: | N[CH](COO)C(O)=O | InChi: | InChI=1S/C3H7NO4/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | Synonyms: | (2S)-2-amino-3-hydroperoxypropanoic acid | Definition date: | 2022-02-17 | Last modified: | 2024-09-27 | Release date: | 2022-10-26 | Identifier: | (2~{S})-2-azanyl-3-(dioxidanyl)propanoic acid |
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| I7H | Name: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde | Formula: | C31 H31 Cl F N5 O3 | SMILES: | Clc1cccc2cccc(c12)c1ncc2c(nc(nc2N2CCC(C=O)C(O)C2)OCC23CCCN3CCC2)c1F | InChi: | InChI=1S/C31H31ClFN5O3/c32-23-8-2-6-19-5-1-7-21(25(19)23)27-26(33)28-22(15-34-27)29(37-14-9-20(17-39)24(40)16-37)36-30(35-28)41-18-31-10-3-12-38(31)13-4-11-31/h1-2,5-8,15,17,20,24,40H,3-4,9-14,16,18H2/t20-,24-/m0/s1 | Synonyms: | (1R,6R)-3-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[4.2.0]octan-7-one | Definition date: | 2022-01-20 | Last modified: | 2024-09-27 | Release date: | 2022-08-03 | Identifier: | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde |
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| I7I | Name: | [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(1~{R})-1-(3-methoxy-4-oxidanyl-phenyl)propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | Formula: | C37 H47 N9 O17 P2 | SMILES: | CC[CH](N1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C1C(=O)NC(=O)N6)c7ccc(O)c(OC)c7 | InChi: | InChI=1S/C37H47N9O17P2/c1-5-19(18-6-7-22(47)25(10-18)59-4)46-21-9-17(3)16(2)8-20(21)44(34-28(46)35(53)43-37(54)42-34)11-23(48)29(50)24(49)12-60-64(55,56)63-65(57,58)61-13-26-30(51)31(52)36(62-26)45-15-41-27-32(38)39-14-40-33(27)45/h6-10,14-15,19,23-24,26,29-31,36,47-52H,5,11-13H2,1-4H3,(H,55,56)(H,57,58)(H2,38,39,40)(H2,42,43,53,54)/t19-,23+,24-,26+,29+,30-,31-,36-/m1/s1 | Definition date: | 2022-02-17 | Last modified: | 2024-09-27 | Release date: | 2022-11-16 | Identifier: | [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(1~{R})-1-(3-methoxy-4-oxidanyl-phenyl)propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate |
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| I7X | Name: | 6-imidazol-1-ylhexanoic acid | Formula: | C9 H14 N2 O2 | SMILES: | OC(=O)CCCCCn1ccnc1 | InChi: | InChI=1S/C9H14N2O2/c12-9(13)4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-4,6H2,(H,12,13) | Definition date: | 2022-06-14 | Last modified: | 2024-09-27 | Release date: | 2023-06-14 | Identifier: | 6-imidazol-1-ylhexanoic acid |
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| I80 | Name: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C24 H30 F3 N3 O6 | SMILES: | CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(OC(F)(F)F)cc1 | InChi: | InChI=1S/C24H30F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,13-14,17,19-20,31H,7-12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20-/m0/s1 | Definition date: | 2021-10-01 | Last modified: | 2024-09-27 | Release date: | 2022-11-09 | Identifier: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| I8H | Name: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C28 H48 N6 O6 | SMILES: | CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)NC(C)(C)C)C(C)(C)C)C3(C)C | InChi: | InChI=1S/C28H48N6O6/c1-26(2,3)20(32-25(40)33-27(4,5)6)24(39)34-13-15-17(28(15,7)8)18(34)22(37)31-16(19(35)23(38)29-9)12-14-10-11-30-21(14)36/h14-20,35H,10-13H2,1-9H3,(H,29,38)(H,30,36)(H,31,37)(H2,32,33,40)/t14-,15-,16-,17-,18-,19+,20+/m0/s1 | Definition date: | 2022-02-23 | Last modified: | 2024-09-27 | Release date: | 2022-04-27 | Identifier: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| I8K | Name: | [4-[1-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]piperidin-4-yl]oxyphenyl]-bis(oxidanyl)-$l^{4}-borane | Formula: | C35 H55 B N O6 | SMILES: | C[CH](CCC(=O)N1CCC(CC1)Oc2ccc(cc2)[BH](O)O)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]34C | InChi: | InChI=1S/C35H55BNO6/c1-22(4-11-32(40)37-18-14-27(15-19-37)43-26-7-5-24(6-8-26)36(41)42)28-9-10-29-33-30(13-17-35(28,29)3)34(2)16-12-25(38)20-23(34)21-31(33)39/h5-8,22-23,25,27-31,33,36,38-39,41-42H,4,9-21H2,1-3H3/t22-,23+,25-,28-,29+,30+,31+,33+,34+,35-/m1/s1 | Definition date: | 2022-02-24 | Last modified: | 2024-09-27 | Release date: | 2022-05-04 | Identifier: | [4-[1-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]piperidin-4-yl]oxyphenyl]-bis(oxidanyl)-$l^{4}-borane |
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| I9A | Name: | (1s,4s)-bicyclo[2.2.1]heptane | Formula: | C7 H12 | SMILES: | C1CC2CCC1C2 | InChi: | InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2/t6-,7+ | Definition date: | 2023-05-04 | Last modified: | 2024-09-27 | Release date: | 2024-03-13 | Identifier: | (1s,4s)-bicyclo[2.2.1]heptane |
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| IAE | Name: | (2S)-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid | Formula: | C11 H12 F3 N O2 | SMILES: | N[CH](CCc1ccc(cc1)C(F)(F)F)C(O)=O | InChi: | InChI=1S/C11H12F3NO2/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17/h1-2,4-5,9H,3,6,15H2,(H,16,17)/t9-/m0/s1 | Definition date: | 2022-06-23 | Last modified: | 2024-09-27 | Release date: | 2023-07-26 | Identifier: | (2~{S})-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid |
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| IAM | Name: | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | Formula: | C13 H20 N2 O2 | SMILES: | O=C(O)C(N)Cc1ccc(cc1)CNC(C)C | InChi: | InChI=1S/C13H20N2O2/c1-9(2)15-8-11-5-3-10(4-6-11)7-12(14)13(16)17/h3-6,9,12,15H,7-8,14H2,1-2H3,(H,16,17)/t12-/m0/s1 | Definition date: | 2004-11-19 | Last modified: | 2024-09-27 | Identifier: | 4-{[(1-methylethyl)amino]methyl}-L-phenylalanine |
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| IAN | Name: | methyl hydrogen (R)-[(R)-methoxy(phenyl)methyl]phosphonate | Formula: | C9 H13 O4 P | SMILES: | O=P(O)(OC)C(OC)c1ccccc1 | InChi: | InChI=1S/C9H13O4P/c1-12-9(14(10,11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,10,11)/t9-/m1/s1 | Definition date: | 2011-03-29 | Last modified: | 2024-09-27 | Identifier: | methyl hydrogen (R)-[(R)-methoxy(phenyl)methyl]phosphonate |
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| IAP | Name: | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | Formula: | C8 H9 B I N O3 | SMILES: | ICC(=O)Nc1cc(B(O)O)ccc1 | InChi: | InChI=1S/C8H9BINO3/c10-5-8(12)11-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2,(H,11,12) | Definition date: | 2001-10-29 | Last modified: | 2024-09-27 | Identifier: | {3-[(iodoacetyl)amino]phenyl}boronic acid |
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| IAQ | Name: | (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide | Formula: | C24 H25 F N6 O | SMILES: | O=C(C=C/CN(C)C)N(c2c(F)cc1nc(c3cncn3c1c2)Nc4ccccc4C)C | InChi: | InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7- | Definition date: | 2011-08-09 | Last modified: | 2024-09-27 | Identifier: | (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide |
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| IAR | Name: | (2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid | Formula: | C6 H12 N4 O2 | SMILES: | O=C(O)C(=[N@H])CCCNC(=[N@H])N | InChi: | InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)/b7-4+ | Definition date: | 2010-07-20 | Last modified: | 2024-09-27 | Identifier: | (2E)-5-carbamimidamido-2-iminopentanoic acid |
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