| A1AKV | Name: | 3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine | Formula: | C12 H14 N4 O2 | SMILES: | O=C(O)C(CC1CC1)Nc1ncnc2[NH]ccc21 | InChi: | InChI=1S/C12H14N4O2/c17-12(18)9(5-7-1-2-7)16-11-8-3-4-13-10(8)14-6-15-11/h3-4,6-7,9H,1-2,5H2,(H,17,18)(H2,13,14,15,16) | Definition date: | 2024-04-04 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | 3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine |
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| A1AKZ | Name: | (3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid | Formula: | C17 H17 N5 O5 S | SMILES: | CS(=O)(=O)Nc1cccc(c1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12 | InChi: | InChI=1S/C17H17N5O5S/c1-28(26,27)22-11-4-2-3-10(7-11)13(8-14(23)24)21-17(25)15-12-5-6-18-16(12)20-9-19-15/h2-7,9,13,22H,8H2,1H3,(H,21,25)(H,23,24)(H,18,19,20)/t13-/m0/s1 | Definition date: | 2024-04-05 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (3S)-3-[3-(methanesulfonamido)phenyl]-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
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| A1AMU | Name: | (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid | Formula: | C17 H15 Br N4 O3 | SMILES: | O=C(O)C(C)C(NC(=O)c1ncnc2[NH]ccc12)c1ccc(Br)cc1 | InChi: | InChI=1S/C17H15BrN4O3/c1-9(17(24)25)13(10-2-4-11(18)5-3-10)22-16(23)14-12-6-7-19-15(12)21-8-20-14/h2-9,13H,1H3,(H,22,23)(H,24,25)(H,19,20,21)/t9-,13-/m0/s1 | Definition date: | 2024-04-15 | Last modified: | 2024-05-10 | Release date: | 2024-05-15 | Identifier: | (2S,3S)-3-(4-bromophenyl)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
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| 9OR | Name: | 3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2S,3S,4R)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1H-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid | Formula: | C20 H25 N4 O12 P | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CN1C=2NC(=O)NC(=O)C=2N(c2cc(C)c(C)cc21)C(=O)CC(=O)O | InChi: | InChI=1S/C20H25N4O12P/c1-8-3-10-11(4-9(8)2)24(14(27)5-15(28)29)16-18(21-20(32)22-19(16)31)23(10)6-12(25)17(30)13(26)7-36-37(33,34)35/h3-4,12-13,17,25-26,30H,5-7H2,1-2H3,(H,28,29)(H2,33,34,35)(H2,21,22,31,32)/t12-,13+,17-/m0/s1 | Definition date: | 2018-06-15 | Last modified: | 2024-05-08 | Release date: | 2019-06-19 | Identifier: | 1-[5-(carboxyacetyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol |
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| 8VV | Name: | (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium | Formula: | C12 H21 N4 O5 S | SMILES: | O=S(CC(N)C(=O)O)c1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1 | InChi: | InChI=1S/C12H20N4O5S/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)22(21)6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/p+1/t8-,9-,22+/m0/s1 | Definition date: | 2017-03-08 | Last modified: | 2024-05-08 | Release date: | 2018-03-07 | Identifier: | (1S)-2-{2-[(R)-(2R)-2-amino-2-carboxyethanesulfinyl]-1H-imidazol-4-yl}-1-carboxy-N,N,N-trimethylethan-1-aminium |
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| EJA | Name: | S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine | Formula: | C6 H10 N2 O5 S | SMILES: | NC(CSC(=N/O)CC(O)=O)C(O)=O | InChi: | InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1 | Definition date: | 2018-01-12 | Last modified: | 2024-05-08 | Release date: | 2018-06-06 | Identifier: | S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine |
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| 1G1 | Name: | N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form | Formula: | C33 H49 N7 O5 S | SMILES: | NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)/N=[N+]=[N-])cc1 | InChi: | InChI=1S/C33H49N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-14,22-23,27-30H,15-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/t27-,28+,29+,30+/m1/s1 | Definition date: | 2013-01-22 | Last modified: | 2024-05-08 | Release date: | 2013-01-25 | Identifier: | N-[(2S)-2-azido-3-phenylpropanoyl]-L-leucyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide |
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| 1G6 | Name: | N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form | Formula: | C37 H50 N8 O5 S | SMILES: | NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(CN)cc2)NC(=O)C(Cc2ccccc2)N=[N+]=[N-])cc1 | InChi: | InChI=1S/C37H50N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-16,25,31-34H,17-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/t31-,32+,33-,34+/m1/s1 | Definition date: | 2013-01-22 | Last modified: | 2024-05-08 | Release date: | 2013-01-25 | Identifier: | 4-(aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide |
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| U7O | Name: | 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one | Formula: | C18 H22 N4 O3 | SMILES: | CC(C)N1C(=O)N(C)c2ccc(c(C)c12)C(=O)c3c(C)nn(C)c3O | InChi: | InChI=1S/C18H22N4O3/c1-9(2)22-15-10(3)12(7-8-13(15)20(5)18(22)25)16(23)14-11(4)19-21(6)17(14)24/h7-9,24H,1-6H3 | Definition date: | 2023-05-24 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one |
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| Y6Z | Name: | Antascomicine B | Formula: | C37 H57 N O10 | SMILES: | C[CH]1CC[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)[C]3(O)O[CH](CC[CH]3C)[CH](C)C(=O)C=CCCC=C1)[CH](C)C[CH]4CC[CH](O)[CH](O)[CH]4O | InChi: | InChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7+,13-8+/t22-,23+,24+,25-,26-,27-,29+,30-,31-,32-,33-,37+/m0/s1 | Synonyms: | (1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacosa-16,20-diene-2,3,10,22-tetrone | Definition date: | 2023-11-23 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (1~{R},9~{S},12~{S},15~{R},16~{E},20~{E},23~{R},24~{S},27~{R})-15,23,27-trimethyl-1-oxidanyl-12-[(2~{R})-1-[(1~{S},2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)cyclohexyl]propan-2-yl]-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacosa-16,20-diene-2,3,10,22-tetrone |
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| TXJ | Name: | [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid | Formula: | C8 H16 N3 O12 P3 | SMILES: | NC1=NC(=O)N(C[CH](CO)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C1 | InChi: | InChI=1S/C8H16N3O12P3/c9-7-1-2-11(8(13)10-7)3-6(4-12)21-5-24(14,15)22-26(19,20)23-25(16,17)18/h1-2,6,12H,3-5H2,(H,14,15)(H,19,20)(H2,9,10,13)(H2,16,17,18)/t6-/m0/s1 | Definition date: | 2023-05-10 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | [(2~{S})-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid |
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| LVK | Name: | 4-propanoylbenzoic acid | Formula: | C10 H10 O3 | SMILES: | OC(=O)c1ccc(cc1)C(=O)CC | InChi: | InChI=1S/C10H10O3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3,(H,12,13) | Definition date: | 2022-03-04 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-propanoylbenzoic acid |
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| A1AOE | Name: | (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol | Formula: | C15 H21 F3 N2 O2 | SMILES: | OC(CN1CCC(N)CC1)COc1cc(ccc1)C(F)(F)F | InChi: | InChI=1S/C15H21F3N2O2/c16-15(17,18)11-2-1-3-14(8-11)22-10-13(21)9-20-6-4-12(19)5-7-20/h1-3,8,12-13,21H,4-7,9-10,19H2/t13-/m1/s1 | Definition date: | 2024-04-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol |
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| A1AOF | Name: | (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol | Formula: | C14 H18 Cl2 N2 O2 | SMILES: | Clc1cc(cc(Cl)c1)OCC(O)CNC1C2CNCC21 | InChi: | InChI=1S/C14H18Cl2N2O2/c15-8-1-9(16)3-11(2-8)20-7-10(19)4-18-14-12-5-17-6-13(12)14/h1-3,10,12-14,17-19H,4-7H2/t10-,12-,13-/m0/s1 | Definition date: | 2024-04-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol |
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| A1AON | Name: | (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol | Formula: | C19 H21 Cl2 F3 N4 O2 | SMILES: | OC(CN1CCC(CC1)Nc1nc(ccn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1 | InChi: | InChI=1S/C19H21Cl2F3N4O2/c20-15-2-1-14(9-16(15)21)30-11-13(29)10-28-7-4-12(5-8-28)26-18-25-6-3-17(27-18)19(22,23)24/h1-3,6,9,12-13,29H,4-5,7-8,10-11H2,(H,25,26,27)/t13-/m0/s1 | Definition date: | 2024-04-19 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol |
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| A1H9U | Name: | ~{N}-(3-azanyl-2-methyl-phenyl)propanamide | Formula: | C10 H14 N2 O | SMILES: | CCC(=O)Nc1cccc(N)c1C | InChi: | InChI=1S/C10H14N2O/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13) | Synonyms: | N-(3-amino-2-methylphenyl)propanamide | Definition date: | 2024-04-29 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | ~{N}-(3-azanyl-2-methyl-phenyl)propanamide |
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| HWF | Name: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid | Formula: | C13 H17 N O2 | SMILES: | O=C(O)C(Cc1ccccc1)C1CCNC1 | InChi: | InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1 | Synonyms: | LY3353871 | Definition date: | 2023-07-22 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid |
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| 9R4 | Name: | D-gamma-glutamyl-2-methyl-L-alanine | Formula: | C9 H16 N2 O5 | SMILES: | NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O | InChi: | InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1 | Definition date: | 2017-06-01 | Last modified: | 2024-04-30 | Release date: | 2017-11-15 | Identifier: | D-gamma-glutamyl-2-methyl-L-alanine |
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| Y6E | Name: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile | Formula: | C25 H23 F N4 O3 S | SMILES: | O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1 | InChi: | InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3 | Definition date: | 2023-06-12 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile |
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| UAC | Name: | (2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide | Formula: | C45 H65 Cl N8 O6 | SMILES: | C[CH](N(C)C(=O)[CH](C)N(Cc1c[nH]c2cc(Cl)ccc12)C(=O)[CH](C)N(C)C(=O)[CH](C)N(Cc3ccccc3)C(C)=O)C(=O)N(CCC(C)(C)C)[CH](C)C(=O)N4CCNCC4 | InChi: | InChI=1S/C45H65ClN8O6/c1-29(43(59)52(22-19-45(7,8)9)33(5)42(58)51-23-20-47-21-24-51)49(10)41(57)32(4)54(28-36-26-48-39-25-37(46)17-18-38(36)39)44(60)30(2)50(11)40(56)31(3)53(34(6)55)27-35-15-13-12-14-16-35/h12-18,25-26,29-33,47-48H,19-24,27-28H2,1-11H3/t29-,30-,31-,32-,33-/m0/s1 | Definition date: | 2023-05-25 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (2~{S})-2-[[(2~{S})-2-[(6-chloranyl-1~{H}-indol-3-yl)methyl-[(2~{S})-2-[[(2~{S})-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-~{N}-(3,3-dimethylbutyl)-~{N}-[(2~{S})-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide |
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| W53 | Name: | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide | Formula: | C23 H26 N8 O | SMILES: | NCCCNC(=O)C(Cc1ccc2ccc(N)nc2n1)Cc3ccc4ccc(N)nc4n3 | InChi: | InChI=1S/C23H26N8O/c24-10-1-11-27-23(32)16(12-17-6-2-14-4-8-19(25)30-21(14)28-17)13-18-7-3-15-5-9-20(26)31-22(15)29-18/h2-9,16H,1,10-13,24H2,(H,27,32)(H2,25,28,30)(H2,26,29,31) | Definition date: | 2023-09-25 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide |
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| SD0 | Name: | (S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide | Formula: | C13 H20 B N2 O6 | SMILES: | N[CH](Cc1ccc(cc1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O | InChi: | InChI=1S/C13H20BN2O6/c15-11(12(18)19)5-9-1-3-10(4-2-9)14(20)21-7-13(16,6-17)8-22-14/h1-4,11,17,20H,5-8,15-16H2,(H,18,19)/q-1/t11-,13-,14+/m0/s1 | Synonyms: | (2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal | Definition date: | 2023-08-30 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-oxidanyl-1,3-dioxa-2-boranuidacyclohex-2-yl]phenyl]propanoic acid |
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| A1H2I | Name: | (2~{S})-2-azanyl-3-[(3~{S})-5-oxidanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]propanoic acid | Formula: | C11 H12 N2 O4 | SMILES: | N[CH](C[CH]1C(=O)Nc2ccc(O)cc12)C(O)=O | InChi: | InChI=1S/C11H12N2O4/c12-8(11(16)17)4-7-6-3-5(14)1-2-9(6)13-10(7)15/h1-3,7-8,14H,4,12H2,(H,13,15)(H,16,17)/t7-,8-/m0/s1 | Definition date: | 2024-01-18 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (2~{S})-2-azanyl-3-[(3~{S})-5-oxidanyl-2-oxidanylidene-1,3-dihydroindol-3-yl]propanoic acid |
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| 8QJ | Name: | (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium | Formula: | C9 H16 N3 O3 S | SMILES: | OSc1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1 | InChi: | InChI=1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1 | Definition date: | 2017-03-01 | Last modified: | 2024-04-25 | Release date: | 2018-03-07 | Identifier: | (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium |
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| E9A | Name: | 1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium | Formula: | C27 H35 N2 O3 | SMILES: | CC(C)C1CCC(C)CC1OC(=O)C[n+]1c2ccccc2n(C)c1COc1ccccc1 | InChi: | InChI=1S/C27H35N2O3/c1-19(2)22-15-14-20(3)16-25(22)32-27(30)17-29-24-13-9-8-12-23(24)28(4)26(29)18-31-21-10-6-5-7-11-21/h5-13,19-20,22,25H,14-18H2,1-4H3/q+1/t20-,22+,25+/m0/s1 | Definition date: | 2017-12-13 | Last modified: | 2024-04-25 | Release date: | 2018-12-12 | Identifier: | 1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium |
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