 | | AMP | | Name: | ADENOSINE MONOPHOSPHATE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2025-04-15 | | Identifier: | 5'-adenylic acid |
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 | | GXB | | Name: | Sialylated precision glycomacromolecule | | Formula: | C92 H141 N21 O37 | | SMILES: | CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(N)=O)C(=O)c1ccc(Cn2cc(CO[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CO)C(O)=O)nn2)cc1)C(=O)c4ccc(Cn5cc(COC6(CC(O)C(NC(C)=O)C(O6)C(O)C(O)CO)C(O)=O)nn5)cc4 | | InChi: | InChI=1S/C92H141N21O37/c1-58(116)94-22-32-110(87(135)63-8-4-61(5-9-63)50-112-52-65(106-108-112)56-147-91(89(137)138)48-67(119)81(104-59(2)117)85(149-91)83(133)69(121)54-114)33-24-96-73(125)14-16-75(127)98-26-36-141-42-44-143-38-28-100-77(129)18-20-79(131)102-30-40-145-46-47-146-41-31-103-80(132)21-19-78(130)101-29-39-144-45-43-142-37-27-99-76(128)17-15-74(126)97-25-35-111(34-23-95-72(124)13-12-71(93)123)88(136)64-10-6-62(7-11-64)51-113-53-66(107-109-113)57-148-92(90(139)140)49-68(120)82(105-60(3)118)86(150-92)84(134)70(122)55-115/h4-11,52-53,67-70,81-86,114-115,119-122,133-134H,12-51,54-57H2,1-3H3,(H2,93,123)(H,94,116)(H,95,124)(H,96,125)(H,97,126)(H,98,127)(H,99,128)(H,100,129)(H,101,130)(H,102,131)(H,103,132)(H,104,117)(H,105,118)(H,137,138)(H,139,140)/t67?,68-,69?,70+,81?,82+,83?,84+,85?,86+,91?,92+/m0/s1 | | Definition date: | 2018-10-15 | | Last modified: | 2025-04-14 | | Release date: | 2019-03-27 | | Identifier: | (2~{S},4~{R},5~{R},6~{R})-5-acetamido-2-[[1-[[4-[2-[[4-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[[4-[[4-[[(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-carboxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]methyl]phenyl]carbonyl-[2-[(4-azanyl-4-oxidanylidene-butanoyl)amino]ethyl]amino]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethyl-(2-acetamidoethyl)carbamoyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-4-oxidanyl-6-[(1~{S},2~{S})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid |
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 | | RFQ | | Name: | N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide | | Formula: | C24 H22 N4 O2 S2 | | SMILES: | N(c3cc(OCC(O)c2cccc(NC(=[N@H])c1sccc1)c2)ccc3)C(=[N@H])c4sccc4 | | InChi: | InChI=1S/C24H22N4O2S2/c25-23(21-9-3-11-31-21)27-17-6-1-5-16(13-17)20(29)15-30-19-8-2-7-18(14-19)28-24(26)22-10-4-12-32-22/h1-14,20,29H,15H2,(H2,25,27)(H2,26,28)/t20-/m1/s1 | | Definition date: | 2014-10-24 | | Last modified: | 2025-04-14 | | Release date: | 2015-01-14 | | Identifier: | N-{3-[(1S)-1-hydroxy-2-(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}phenoxy)ethyl]phenyl}thiophene-2-carboximidamide |
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 | | A1BUC | | Name: | 1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | | Formula: | C56 H68 Cl F2 N15 O7 | | SMILES: | CNC(=O)COC1=Cc2cc(cc(OC)c2N(C)C1=O)Nc1nc(ncc1Cl)N1CCC(CC1)C(=O)NCCCCC(=O)N1CCC(CC1)n1nc(c2CN(CCc21)C(=O)NC)N1CCCc2cc(c3cn(C)nc3)c(cc21)C(F)F | | InChi: | InChI=1S/C56H68ClF2N15O7/c1-60-47(75)32-81-46-25-35-23-37(26-45(80-5)49(35)69(4)54(46)78)65-51-42(57)29-63-55(66-51)71-18-11-33(12-19-71)53(77)62-16-7-6-10-48(76)70-20-13-38(14-21-70)74-43-15-22-72(56(79)61-2)31-41(43)52(67-74)73-17-8-9-34-24-39(36-28-64-68(3)30-36)40(50(58)59)27-44(34)73/h23-30,33,38,50H,6-22,31-32H2,1-5H3,(H,60,75)(H,61,79)(H,62,77)(H,63,65,66) | | Definition date: | 2025-01-23 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
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 | | Y65 | | Name: | (2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid | | Formula: | C21 H30 N8 O15 P2 | | SMILES: | N[CH](Cc1cn(cn1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)=O | | InChi: | InChI=1S/C21H30N8O15P2/c22-9(21(34)35)1-8-2-28(6-26-8)19-15(32)13(30)10(42-19)3-40-45(36,37)44-46(38,39)41-4-11-14(31)16(33)20(43-11)29-7-27-12-17(23)24-5-25-18(12)29/h2,5-7,9-11,13-16,19-20,30-33H,1,3-4,22H2,(H,34,35)(H,36,37)(H,38,39)(H2,23,24,25)/t9-,10+,11+,13+,14+,15+,16+,19+,20+/m0/s1 | | Definition date: | 2023-11-21 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid |
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 | | YK6 | | Name: | diepoxidized farnesyl acetate | | Formula: | C17 H28 O4 | | SMILES: | CC(=O)OCC=C(C)CC[CH]1O[C]1(C)CC[CH]2OC2(C)C | | InChi: | InChI=1S/C17H28O4/c1-12(9-11-19-13(2)18)6-7-15-17(5,21-15)10-8-14-16(3,4)20-14/h9,14-15H,6-8,10-11H2,1-5H3/b12-9+/t14-,15+,17+/m1/s1 | | Synonyms: | [(~{E})-5-[(2~{S},3~{S})-3-[2-[(2~{R})-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enyl] ethanoate | | Definition date: | 2023-12-05 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | [(~{E})-5-[(2~{S},3~{S})-3-[2-[(2~{R})-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enyl] ethanoate |
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 | | A1D7Q | | Name: | 20-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid | | Formula: | C31 H56 N2 O10 | | SMILES: | OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(O)=O)C(O)=O | | InChi: | InChI=1S/C31H56N2O10/c34-27(32-21-22-42-23-24-43-25-30(38)39)20-19-26(31(40)41)33-28(35)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-29(36)37/h26H,1-25H2,(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,40,41)/t26-/m0/s1 | | Definition date: | 2024-04-10 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 20-[[(2~{S})-5-[2-[2-(2-hydroxy-2-oxoethyloxy)ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid |
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 | | A1EGB | | Name: | 5-chloranyl-2~{H}-indazole | | Formula: | C7 H5 Cl N2 | | SMILES: | Clc1ccc2n[nH]cc2c1 | | InChi: | InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10) | | Definition date: | 2024-11-22 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 5-chloranyl-2~{H}-indazole |
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 | | A1EJU | | Name: | 3-azanyl-4-(7-fluoranyl-2H-indazol-4-yl)-8-methoxy-1H-1,5-naphthyridin-2-one | | Formula: | C16 H12 F N5 O2 | | SMILES: | COc1ccnc2c1NC(=O)C(=C2c3ccc(F)c4n[nH]cc34)N | | InChi: | InChI=1S/C16H12FN5O2/c1-24-10-4-5-19-15-11(12(18)16(23)21-14(10)15)7-2-3-9(17)13-8(7)6-20-22-13/h2-6H,18H2,1H3,(H,20,22)(H,21,23) | | Definition date: | 2025-01-17 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 3-azanyl-4-(7-fluoranyl-2~{H}-indazol-4-yl)-8-methoxy-1~{H}-1,5-naphthyridin-2-one |
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 | | A1EJV | | Name: | 3-azanyl-7-chloranyl-4-(7-fluoranyl-1H-indazol-4-yl)-1H-1,5-naphthyridin-2-one | | Formula: | C15 H9 Cl F N5 O | | SMILES: | NC1=C(c2ccc(F)c3[nH]ncc23)c4ncc(Cl)cc4NC1=O | | InChi: | InChI=1S/C15H9ClFN5O/c16-6-3-10-14(19-4-6)11(12(18)15(23)21-10)7-1-2-9(17)13-8(7)5-20-22-13/h1-5H,18H2,(H,20,22)(H,21,23) | | Definition date: | 2025-01-17 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 3-azanyl-7-chloranyl-4-(7-fluoranyl-1~{H}-indazol-4-yl)-1~{H}-1,5-naphthyridin-2-one |
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 | | A1IK9 | | Name: | 5-[(7-chloranyl-3-ethyl-4-oxidanyl-1,3-benzothiazol-2-yl)sulfamoyl]-~{N}-(2-hydroxyethyl)-2-oxidanyl-~{N}-piperidin-4-yl-benzamide | | Formula: | C23 H28 Cl N4 O6 S2 | | SMILES: | CC[n+]1c(N[S](=O)(=O)c2ccc(O)c(c2)C(=O)N(CCO)C3CCNCC3)sc4c(Cl)ccc(O)c14 | | InChi: | InChI=1S/C23H27ClN4O6S2/c1-2-27-20-19(31)6-4-17(24)21(20)35-23(27)26-36(33,34)15-3-5-18(30)16(13-15)22(32)28(11-12-29)14-7-9-25-10-8-14/h3-6,13-14,25,29H,2,7-12H2,1H3,(H2,30,31,32)/p+1 | | Definition date: | 2024-08-14 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 5-[(7-chloranyl-3-ethyl-4-oxidanyl-1,3-benzothiazol-3-ium-2-yl)sulfamoyl]-~{N}-(2-hydroxyethyl)-2-oxidanyl-~{N}-piperidin-4-yl-benzamide |
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 | | A1ILA | | Name: | 11-(4-aminocyclohexyl)-16-chloro-1,15-dihydroxy-10,10-dioxo-10lambda6-thia-2,11lambda6-diaza-1lambda6,15lambda6-diphospha-3-phosphoniapentacyclo[7.5.1.01,15.03,15.013,15]hexadecan-12-one | | Formula: | C25 H30 Cl N4 O5 S2 | | SMILES: | N[CH]1CC[CH](CC1)N2CCCCC[n+]3c(N[S](=O)(=O)c4ccc(O)c(c4)C2=O)sc5c(Cl)ccc(O)c35 | | InChi: | InChI=1S/C25H29ClN4O5S2/c26-19-9-11-21(32)22-23(19)36-25-28-37(34,35)17-8-10-20(31)18(14-17)24(33)29(12-2-1-3-13-30(22)25)16-6-4-15(27)5-7-16/h8-11,14-16H,1-7,12-13,27H2,(H2,31,32,33)/p+1/b28-25-/t15-,16+ | | Definition date: | 2024-08-14 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 |
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 | | A1ILF | | Name: | (3Z)-18-(4-aminocyclohexyl)-21-[4-(4-amino-1-piperidyl)-1-piperidyl]-7-chloro-10-hydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one | | Formula: | C34 H47 Cl N8 O4 S2 | | SMILES: | N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N5CC[CH](CC5)N6CC[CH](N)CC6)c(c4)C2=O)Sc7c(Cl)ccc(O)c37 | | InChi: | InChI=1S/C34H47ClN8O4S2/c35-28-8-9-29(44)30-31(28)48-34-39-49(46,47)26-20-27(32(38-21-26)41-18-12-24(13-19-41)40-16-10-23(37)11-17-40)33(45)42(14-2-1-3-15-43(30)34)25-6-4-22(36)5-7-25/h8-9,20-25,44H,1-7,10-19,36-37H2/b39-34-/t22-,25+ | | Definition date: | 2024-08-15 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 |
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 | | A1IMA | | Name: | (3Z)-18-(4-aminocyclohexyl)-7-chloro-10-hydroxy-2,2-dioxo-21-piperazin-1-yl-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one | | Formula: | C28 H36 Cl N7 O4 S2 | | SMILES: | N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N5CCNCC5)c(c4)C2=O)Sc6c(Cl)ccc(O)c36 | | InChi: | InChI=1S/C28H36ClN7O4S2/c29-22-8-9-23(37)24-25(22)41-28-33-42(39,40)20-16-21(26(32-17-20)34-14-10-31-11-15-34)27(38)35(12-2-1-3-13-36(24)28)19-6-4-18(30)5-7-19/h8-9,16-19,31,37H,1-7,10-15,30H2/b33-28-/t18-,19+ | | Definition date: | 2024-08-20 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 |
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 | | A1IMB | | Name: | (3E,15S)-17-(cis-4-aminocyclohexyl)-7-chloro-10,15,20-trihydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,17-triazatetracyclo[17.3.1.04,12.06,11]tricosa-1(22),3,6(11),7,9,19(23),20-heptaen-18-one | | Formula: | C24 H27 Cl N4 O6 S2 | | SMILES: | N[CH]1CC[CH](CC1)N2C[CH](O)CCN3C(=N[S](=O)(=O)c4ccc(O)c(c4)C2=O)Sc5c(Cl)ccc(O)c35 | | InChi: | InChI=1S/C24H27ClN4O6S2/c25-18-6-8-20(32)21-22(18)36-24-27-37(34,35)16-5-7-19(31)17(11-16)23(33)29(12-15(30)9-10-28(21)24)14-3-1-13(26)2-4-14/h5-8,11,13-15,30-32H,1-4,9-10,12,26H2/b27-24-/t13-,14+,15-/m0/s1 | | Definition date: | 2024-08-20 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 |
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 | | A1IRQ | | Name: | (2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid | | Formula: | C22 H24 N2 O6 S | | SMILES: | OC(=O)[CH]1CC[CH](N1C(=O)CNC(=O)[CH](S)Cc2ccc(O)cc2)c3cccc(O)c3 | | InChi: | InChI=1S/C22H24N2O6S/c25-15-6-4-13(5-7-15)10-19(31)21(28)23-12-20(27)24-17(8-9-18(24)22(29)30)14-2-1-3-16(26)11-14/h1-7,11,17-19,25-26,31H,8-10,12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1 | | Definition date: | 2024-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid |
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 | | A1IRR | | Name: | (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid | | Formula: | C23 H26 N2 O4 S | | SMILES: | Cc1ccc(cc1)[CH]2CC[CH](N2C(=O)CNC(=O)[CH](S)Cc3ccccc3)C(O)=O | | InChi: | InChI=1S/C23H26N2O4S/c1-15-7-9-17(10-8-15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-5-3-2-4-6-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1 | | Definition date: | 2024-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid |
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 | | A1IRS | | Name: | (2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid | | Formula: | C26 H32 N4 O4 S | | SMILES: | NCCCC[CH](NC(=O)[CH](S)Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O | | InChi: | InChI=1S/C26H32N4O4S/c27-13-7-6-12-21(29-25(32)23(35)14-17-8-2-1-3-9-17)24(31)30-22(26(33)34)15-18-16-28-20-11-5-4-10-19(18)20/h1-5,8-11,16,21-23,28,35H,6-7,12-15,27H2,(H,29,32)(H,30,31)(H,33,34)/t21-,22-,23-/m0/s1 | | Definition date: | 2024-10-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid |
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 | | A1JAQ | | Name: | 1-amino-1,6-dideoxy-beta-L-galacto-hexopyranose | | Formula: | C6 H13 N O4 | | SMILES: | C[CH]1O[CH](N)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5-,6-/m0/s1 | | Synonyms: | 1-amino-1-deoxy-b-L-fucopyranoside | | Definition date: | 2025-04-09 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | (2~{S},3~{S},4~{R},5~{S},6~{S})-2-azanyl-6-methyl-oxane-3,4,5-triol |
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 | | YGK | | Name: | Monoepoxidized farnesyl acetate | | Formula: | C17 H28 O3 | | SMILES: | CC(=O)OCC=C(C)CCC=C(C)CC[CH]1OC1(C)C | | InChi: | InChI=1S/C17H28O3/c1-13(9-10-16-17(4,5)20-16)7-6-8-14(2)11-12-19-15(3)18/h7,11,16H,6,8-10,12H2,1-5H3/b13-7+,14-11+/t16-/m1/s1 | | Synonyms: | [(2~{E},6~{E})-9-[(2~{R})-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate | | Definition date: | 2023-12-04 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | [(2~{E},6~{E})-9-[(2~{R})-3,3-dimethyloxiran-2-yl]-3,7-dimethyl-nona-2,6-dienyl] ethanoate |
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 | | A1ALF | | Name: | N-[(2R)-1-({(2S)-1-amino-3-[(2S,3R)-2-hydroxypyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-ethoxy[1,1'-biphenyl]-4-carboxamide | | Formula: | C28 H40 N4 O4 | | SMILES: | OC1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1)c1ccc(OCC)cc1)CN | | InChi: | InChI=1S/C28H40N4O4/c1-4-36-24-11-9-20(10-12-24)19-5-7-21(8-6-19)27(34)32-25(15-18(2)3)28(35)31-23(17-29)16-22-13-14-30-26(22)33/h5-12,18,22-23,25-26,30,33H,4,13-17,29H2,1-3H3,(H,31,35)(H,32,34) | | Definition date: | 2024-04-08 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | N-[(2R)-1-({(2S)-1-amino-3-[(2S,3R)-2-hydroxypyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-ethoxy[1,1'-biphenyl]-4-carboxamide |
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 | | A1ALU | | Name: | 3-fluoro-N-[(2S)-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide | | Formula: | C27 H33 F N4 O4 | | SMILES: | COc1ccc(cc1)c1ccc(c(F)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N | | InChi: | InChI=1S/C27H33FN4O4/c1-16(2)12-24(27(35)31-20(15-29)13-19-10-11-30-25(19)33)32-26(34)22-9-6-18(14-23(22)28)17-4-7-21(36-3)8-5-17/h4-9,14-16,19-20,24,29H,10-13H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)/b29-15+/t19-,20?,24-/m0/s1 | | Definition date: | 2024-04-10 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 3-fluoro-N-[(2S)-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide |
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 | | A1ALV | | Name: | N~2~-[(4M)-2-fluoro-4-(1-methyl-1H-indazol-5-yl)benzene-1-carbonyl]-N-{(1E,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Formula: | C28 H33 F N6 O3 | | SMILES: | O=C1NCCC1CC(C=N)NC(=O)C(CC(C)C)NC(=O)c1ccc(cc1F)c1cc2cnn(C)c2cc1 | | InChi: | InChI=1S/C28H33FN6O3/c1-16(2)10-24(28(38)33-21(14-30)12-19-8-9-31-26(19)36)34-27(37)22-6-4-18(13-23(22)29)17-5-7-25-20(11-17)15-32-35(25)3/h4-7,11,13-16,19,21,24,30H,8-10,12H2,1-3H3,(H,31,36)(H,33,38)(H,34,37) | | Definition date: | 2024-04-10 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | N~2~-[(4M)-2-fluoro-4-(1-methyl-1H-indazol-5-yl)benzene-1-carbonyl]-N-{(1E,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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 | | A1ALX | | Name: | 3-chloro-N-[(2R)-1-({(1Z,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide | | Formula: | C27 H33 Cl N4 O4 | | SMILES: | COc1ccc(cc1)c1ccc(c(Cl)c1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C=N | | InChi: | InChI=1S/C27H33ClN4O4/c1-16(2)12-24(27(35)31-20(15-29)13-19-10-11-30-25(19)33)32-26(34)22-9-6-18(14-23(22)28)17-4-7-21(36-3)8-5-17/h4-9,14-16,19-20,24,29H,10-13H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)/b29-15+/t19-,20+,24-/m1/s1 | | Definition date: | 2024-04-10 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 3-chloro-N-[(2R)-1-({(1Z,2S)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4'-methoxy[1,1'-biphenyl]-4-carboxamide |
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 | | A1H7Q | | Name: | 1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one | | Formula: | C13 H17 N O | | SMILES: | CCC(=O)N1CCC[CH]1c2ccccc2 | | InChi: | InChI=1S/C13H17NO/c1-2-13(15)14-10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m1/s1 | | Definition date: | 2024-04-04 | | Last modified: | 2025-04-11 | | Release date: | 2025-04-16 | | Identifier: | 1-[(2~{R})-2-phenylpyrrolidin-1-yl]propan-1-one |
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