 | | EL0 | | Name: | (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one | | Formula: | C29 H32 Cl N5 O5 S | | SMILES: | COc1ccc(cc1Cl)N2[CH](CCCC2=O)c3nc4cc(ccc4n3[CH]5CCN(C5)[S](C)(=O)=O)c6c(C)onc6C | | InChi: | InChI=1S/C29H32ClN5O5S/c1-17-28(18(2)40-32-17)19-8-10-24-23(14-19)31-29(35(24)21-12-13-33(16-21)41(4,37)38)25-6-5-7-27(36)34(25)20-9-11-26(39-3)22(30)15-20/h8-11,14-15,21,25H,5-7,12-13,16H2,1-4H3/t21-,25+/m1/s1 | | Definition date: | 2022-04-21 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (6~{S})-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3~{R})-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one |
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 | | GJ9 | | Name: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium | | Formula: | C28 H38 N5 O4 S | | SMILES: | O=C(O)CCCOc1c(C)cc2cccnc2c1N1CCC[NH+](CC1)Cc1csc(n1)N1CCC(O)CC1 | | InChi: | InChI=1S/C28H37N5O4S/c1-20-17-21-5-2-9-29-25(21)26(27(20)37-16-3-6-24(35)36)32-11-4-10-31(14-15-32)18-22-19-38-28(30-22)33-12-7-23(34)8-13-33/h2,5,9,17,19,23,34H,3-4,6-8,10-16,18H2,1H3,(H,35,36)/p+1 | | Definition date: | 2022-01-03 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium |
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 | | 3UI | | Name: | N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide | | Formula: | C21 H23 Cl F3 N3 O4 S | | SMILES: | CC[S](=O)(=O)c1ccc(Cl)cc1CNC(=O)c2cc(OC(F)(F)F)cc(c2)N3CCNCC3 | | InChi: | InChI=1S/C21H23ClF3N3O4S/c1-2-33(30,31)19-4-3-16(22)9-15(19)13-27-20(29)14-10-17(28-7-5-26-6-8-28)12-18(11-14)32-21(23,24)25/h3-4,9-12,26H,2,5-8,13H2,1H3,(H,27,29) | | Definition date: | 2021-07-21 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | ~{N}-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide |
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 | | 4UI | | Name: | 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide | | Formula: | C22 H17 F N2 O2 S2 | | SMILES: | ONC(=O)c1sc(Cn2c3C[CH](Sc3c4cc(F)ccc24)c5ccccc5)cc1 | | InChi: | InChI=1S/C22H17FN2O2S2/c23-14-6-8-17-16(10-14)21-18(11-20(29-21)13-4-2-1-3-5-13)25(17)12-15-7-9-19(28-15)22(26)24-27/h1-10,20,27H,11-12H2,(H,24,26)/t20-/m1/s1 | | Definition date: | 2021-07-07 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | 5-[[(2~{R})-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide |
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 | | 5N9 | | Name: | ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine | | Formula: | C20 H18 Cl F3 N4 O | | SMILES: | CC(C)Oc1ccc(cc1Cl)c2ncc(CNc3ccnc(c3)C(F)(F)F)cn2 | | InChi: | InChI=1S/C20H18ClF3N4O/c1-12(2)29-17-4-3-14(7-16(17)21)19-27-10-13(11-28-19)9-26-15-5-6-25-18(8-15)20(22,23)24/h3-8,10-12H,9H2,1-2H3,(H,25,26) | | Definition date: | 2021-07-13 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine |
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 | | 5OV | | Name: | (3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol | | Formula: | C7 H13 N O7 S | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[S](=O)(=O)O[CH]12 | | InChi: | InChI=1S/C7H13NO7S/c9-1-2-4(10)6(12)5(11)3-7(2)15-16(13,14)8-3/h2-12H,1H2/t2-,3-,4-,5+,6+,7+/m1/s1 | | Synonyms: | Cyclophellitol Sulfamidate probe KK131 | | Definition date: | 2021-07-13 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (3~{a}~{R},4~{S},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol |
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 | | 5TV | | Name: | (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate | | Formula: | C18 H13 Cl2 F N2 O2 | | SMILES: | Clc1cc(cc(Cl)c1)C(=O)OC(Cn1ccnc1)c1ccc(F)cc1 | | InChi: | InChI=1S/C18H13Cl2FN2O2/c19-14-7-13(8-15(20)9-14)18(24)25-17(10-23-6-5-22-11-23)12-1-3-16(21)4-2-12/h1-9,11,17H,10H2/t17-/m1/s1 | | Definition date: | 2021-07-23 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate |
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 | | 5UR | | Name: | (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate | | Formula: | C19 H13 Cl2 F3 N2 O2 | | SMILES: | FC(F)(F)c1cccc(c1)C(=O)OC(Cn1ccnc1)c1ccc(Cl)cc1Cl | | InChi: | InChI=1S/C19H13Cl2F3N2O2/c20-14-4-5-15(16(21)9-14)17(10-26-7-6-25-11-26)28-18(27)12-2-1-3-13(8-12)19(22,23)24/h1-9,11,17H,10H2/t17-/m1/s1 | | Definition date: | 2021-07-23 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate |
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 | | 5Y1 | | Name: | (5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione | | Formula: | C23 H23 N3 O5 | | SMILES: | O=C1NCCc2cc(ccc2)OCCCCOc2cccc(c2)C=2N=C1C(O)C(=O)N=2 | | InChi: | InChI=1S/C23H23N3O5/c27-20-19-22(28)24-10-9-15-5-3-7-17(13-15)30-11-1-2-12-31-18-8-4-6-16(14-18)21(25-19)26-23(20)29/h3-8,13-14,20,27H,1-2,9-12H2,(H,24,28) | | Definition date: | 2021-07-27 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione |
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 | | 5YS | | Name: | ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide | | Formula: | C20 H25 N3 O2 | | SMILES: | COc1cccc(c1)[CH](C)NC(=O)N2CCC(CC2)c3ccncc3 | | InChi: | InChI=1S/C20H25N3O2/c1-15(18-4-3-5-19(14-18)25-2)22-20(24)23-12-8-17(9-13-23)16-6-10-21-11-7-16/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,22,24)/t15-/m1/s1 | | Definition date: | 2021-07-19 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide |
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 | | 4I6 | | Name: | perfluorononanoic acid | | Formula: | C9 H F17 O2 | | SMILES: | OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | | InChi: | InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28) | | Definition date: | 2021-07-27 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecakis(fluoranyl)nonanoic acid |
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 | | 4IF | | Name: | cis-vaccenic acid | | Formula: | C18 H34 O2 | | SMILES: | CCCCCCC=CCCCCCCCCCC(O)=O | | InChi: | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7- | | Definition date: | 2021-07-27 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (~{Z})-octadec-11-enoic acid |
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 | | 8EH | | Name: | (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide | | Formula: | C24 H27 N7 O5 S | | SMILES: | COc1cccc(OC)c1n2c(N[S](=O)(=O)[CH](C)[CH](O)c3ncc(C)cn3)nnc2c4cccc(C)n4 | | InChi: | InChI=1S/C24H27N7O5S/c1-14-12-25-22(26-13-14)21(32)16(3)37(33,34)30-24-29-28-23(17-9-6-8-15(2)27-17)31(24)20-18(35-4)10-7-11-19(20)36-5/h6-13,16,21,32H,1-5H3,(H,29,30)/t16-,21-/m0/s1 | | Definition date: | 2021-12-09 | | Last modified: | 2022-07-22 | | Release date: | 2022-07-27 | | Identifier: | (1~{R},2~{S})-~{N}-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide |
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 | | U08 | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile | | Formula: | C12 H13 N5 O4 | | SMILES: | Nc1ncnn2c1ccc2[C]3(O[CH](CO)[CH](O)[CH]3O)C#N | | InChi: | InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1 | | Synonyms: | Remdesivir, reacted form | | Definition date: | 2021-01-15 | | Last modified: | 2022-07-20 | | Release date: | 2021-01-27 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile |
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 | | N3U | | Name: | L-xylulose-5-phosphate | | Formula: | C5 H11 O8 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(=O)CO | | InChi: | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m0/s1 | | Definition date: | 2022-03-23 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | 5-O-phosphono-L-xylulose |
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 | | N46 | | Name: | (2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate | | Formula: | C5 H9 O7 P | | SMILES: | O=P(O)(O)OCC(O)C(=O)C(C)=O | | InChi: | InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m1/s1 | | Definition date: | 2022-03-23 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | (2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate |
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 | | N4O | | Name: | (2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate | | Formula: | C4 H9 O6 P | | SMILES: | O=P(O)(O)OCC(O)C(C)=O | | InChi: | InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m1/s1 | | Definition date: | 2022-03-23 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | (2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate |
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 | | N52 | | Name: | (2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate | | Formula: | C5 H11 O8 P | | SMILES: | O=P(O)(O)OCC(O)(C(O)O)C(C)=O | | InChi: | InChI=1S/C5H11O8P/c1-3(6)5(9,4(7)8)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t5-/m0/s1 | | Definition date: | 2022-03-23 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | (2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate |
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 | | OH6 | | Name: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{Z})-hexadec-9-enethioate | | Formula: | C37 H64 N7 O17 P3 S | | SMILES: | CCCCCCC=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O | | InChi: | InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b10-9-/t26-,30-,31+,32+,36-/m1/s1 | | Synonyms: | Palmitoleoyl-CoA | | Definition date: | 2022-05-02 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-hexadec-9-enethioate (non-preferred name) |
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 | | J7O | | Name: | 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide | | Formula: | C31 H28 Br N5 O5 | | SMILES: | CNC(=O)c1cc(Br)cc(c1N2CC[C]3(C2)CN(C[CH]3c4ccccc4)C(=O)c5cncc6cc(O)ccc56)[N+]([O-])=O | | InChi: | InChI=1S/C31H28BrN5O5/c1-33-29(39)24-12-21(32)13-27(37(41)42)28(24)35-10-9-31(17-35)18-36(16-26(31)19-5-3-2-4-6-19)30(40)25-15-34-14-20-11-22(38)7-8-23(20)25/h2-8,11-15,26,38H,9-10,16-18H2,1H3,(H,33,39)/t26-,31+/m1/s1 | | Definition date: | 2021-04-20 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide |
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 | | J7R | | Name: | ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide | | Formula: | C24 H24 Br N5 O4 | | SMILES: | CNC(=O)c1cc(Br)cc(c1N[CH]2CCCC[CH]2NC(=O)c3cncc4ccccc34)[N](=O)=O | | InChi: | InChI=1S/C24H24BrN5O4/c1-26-23(31)17-10-15(25)11-21(30(33)34)22(17)28-19-8-4-5-9-20(19)29-24(32)18-13-27-12-14-6-2-3-7-16(14)18/h2-3,6-7,10-13,19-20,28H,4-5,8-9H2,1H3,(H,26,31)(H,29,32)/t19-,20+/m1/s1 | | Definition date: | 2021-04-21 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide |
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 | | QFC | | Name: | Mezigdomide | | Formula: | C32 H30 F N5 O4 | | SMILES: | O=C1NC(=O)CCC1N1Cc2c(cccc2OCc2ccc(cc2)CN2CCN(CC2)c2ccc(C#N)cc2F)C1=O | | InChi: | InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1 | | Definition date: | 2022-06-08 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | 4-[4-({4-[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}oxy)methyl]phenyl}methyl)piperazin-1-yl]-3-fluorobenzonitrile |
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 | | NN6 | | Name: | ~{N}-[azanyl(azanylidene)methylidene]-5-fluoranyl-8-[2,4,6-tris(fluoranyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide | | Formula: | C17 H14 F4 N4 O | | SMILES: | NC(N)=N/C(=O)N1CCc2c(C1)c(ccc2F)c1c(F)cc(F)cc1F | | InChi: | InChI=1S/C17H14F4N4O/c18-8-5-13(20)15(14(21)6-8)10-1-2-12(19)9-3-4-25(7-11(9)10)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26) | | Definition date: | 2022-04-06 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | N-(diaminomethylidene)-5-fluoro-8-(2,4,6-trifluorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide |
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 | | O50 | | Name: | 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide | | Formula: | C23 H20 N6 O | | SMILES: | O=C(Nc1ccc(cn1)c1cnccn1)Cc1cc(C)c(nc1)c1ccnc(C)c1 | | InChi: | InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30) | | Definition date: | 2022-04-22 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide |
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 | | SR6 | | Name: | dolastatin-10 | | Formula: | C42 H68 N6 O6 S | | SMILES: | O=C(NC(Cc1ccccc1)c1nccs1)C(C)C(OC)C1CCCN1C(=O)CC(OC)C(C(C)CC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C)C(C)C | | InChi: | InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1 | | Synonyms: | N,N-dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide | | Definition date: | 2022-07-07 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | N,N-dimethyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide |
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