| SGF | Name: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside | Formula: | C24 H47 N O10 S | SMILES: | O=S(=O)(O)OC1C(O)C(OC(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO | InChi: | InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-33-24-22(29)23(35-36(30,31)32)21(28)20(16-26)34-24/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22+,23-,24+/m0/s1 | Synonyms: | Sphingosine-1-galactoside-3-sulfate | Definition date: | 2012-05-11 | Last modified: | 2021-03-01 | Release date: | 2013-02-01 | Identifier: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 3-O-sulfo-beta-D-galactopyranoside |
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| UGC | Name: | (2S)-(carbamoylamino)(hydroxy)ethanoic acid | Formula: | C3 H6 N2 O4 | SMILES: | O=C(O)C(O)NC(=O)N | InChi: | InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1 | Synonyms: | (S)-Ureidoglycolate | Definition date: | 2014-04-09 | Last modified: | 2021-03-01 | Release date: | 2014-07-23 | Identifier: | (2S)-(carbamoylamino)(hydroxy)ethanoic acid |
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| X2W | Name: | N-ACETYL-L-GLUTAMYL 5-PHOSPHATE | Formula: | C7 H12 N O8 P | SMILES: | O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C | InChi: | InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1 | Synonyms: | N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE | Definition date: | 2010-01-18 | Last modified: | 2021-03-01 | Identifier: | N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline |
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| VPD | Name: | 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Formula: | C19 H29 Cl N5 O9 P | SMILES: | C(CO)(OCC1C(C(C(O1)n4c2c(c(nc(Cl)n2)NC3CCCC3)cn4)O)O)(COC)P(=O)(O)O | InChi: | InChI=1S/C19H29ClN5O9P/c1-32-9-19(8-26,35(29,30)31)33-7-12-13(27)14(28)17(34-12)25-16-11(6-21-25)15(23-18(20)24-16)22-10-4-2-3-5-10/h6,10,12-14,17,26-28H,2-5,7-9H2,1H3,(H,22,23,24)(H2,29,30,31)/t12-,13-,14-,17-,19-/m1/s1 | Synonyms: | OP-0105244 | Definition date: | 2020-08-31 | Last modified: | 2021-03-01 | Release date: | 2020-09-23 | Identifier: | 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
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| INR | Name: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID | Formula: | C16 H10 N2 O5 S | SMILES: | O=S(=O)(O)c1cc2c(cc1)NC(=O)C/2=C4C(=O)c3ccccc3N4 | InChi: | InChI=1S/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13- | Synonyms: | INDIRUBIN-5-SULPHONATE | Definition date: | 2000-10-17 | Last modified: | 2021-03-01 | Identifier: | (2Z)-2',3-dioxo-1,1',2',3-tetrahydro-2,3'-biindole-5'-sulfonic acid |
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| VPP | Name: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C23 H29 N5 O8 S | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3 | InChi: | InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17+/m1/s1 | Synonyms: | (5S)-Penicilloic Acid | Definition date: | 2013-07-18 | Last modified: | 2021-03-01 | Release date: | 2013-11-06 | Identifier: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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| XIY | Name: | 2-HYDROXYMETHYL-BENZOIMIDAZOLE | Formula: | C8 H8 N2 O | SMILES: | OCc2nc1ccccc1n2 | InChi: | InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10) | Synonyms: | 1H-BENZIMIDAZOL-2-YLMETHANOL | Definition date: | 2010-07-01 | Last modified: | 2021-03-01 | Identifier: | 1H-benzimidazol-2-ylmethanol |
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| XIZ | Name: | (E)-PYRIDIN-4-YL-ACRYLIC ACID | Formula: | C8 H7 N O2 | SMILES: | O=C(O)C=Cc1ccncc1 | InChi: | InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+ | Synonyms: | (2E)-3-PYRIDIN-4-YLPROP-2-ENOIC ACID | Definition date: | 2010-07-01 | Last modified: | 2021-03-01 | Identifier: | (2E)-3-pyridin-4-ylprop-2-enoic acid |
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| VPU | Name: | [[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate | Formula: | C18 H25 N3 O7 | SMILES: | O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCCC)Nc2ccccc2 | InChi: | InChI=1S/C18H25N3O7/c1-2-3-9-13(23)20-14-16(25)15(24)12(10-22)27-17(14)21-28-18(26)19-11-7-5-4-6-8-11/h4-8,12,14-16,22,24-25H,2-3,9-10H2,1H3,(H,19,26)(H,20,23)/b21-17-/t12-,14-,15-,16-/m1/s1 | Synonyms: | N-Valeryl-PUGNAc | Definition date: | 2009-04-15 | Last modified: | 2021-03-01 | Identifier: | N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]pentanamide (non-preferred name) |
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| U3D | Name: | [(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate | Formula: | C46 H88 N O8 P | SMILES: | C(C=[C@H]CCCCCCCC)CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C | InChi: | InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h20-22,24,44H,6-19,23,25-43H2,1-5H3/b22-20-,24-21-/t44-/m1/s1 | Synonyms: | [(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (~{Z})-icos-11-enoate | Definition date: | 2020-04-13 | Last modified: | 2021-03-01 | Release date: | 2020-07-01 | Identifier: | (2R)-3-{[(11Z)-icos-11-enoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate |
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| X3X | Name: | bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate | Formula: | C6 H15 O8 P | SMILES: | O=P(OCC(O)CO)(OCC(O)CO)O | InChi: | InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1 | Synonyms: | diglycerolphosphate | Definition date: | 2013-10-14 | Last modified: | 2021-03-01 | Release date: | 2013-11-13 | Identifier: | bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate |
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| TAK | Name: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | Formula: | C24 H25 N5 O | SMILES: | O(c4ccc(c2cn3ncc(c1ccncc1)c3nc2)cc4)CCN5CCCCC5 | InChi: | InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2 | Synonyms: | Dorsomorphin | Definition date: | 2008-01-21 | Last modified: | 2021-03-01 | Identifier: | 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine |
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| 3VL | Name: | methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | Formula: | C30 H35 N O10 | SMILES: | O=C(OC)C5c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3C(OC4OC(C(O)C(N(C)C)C4)C)CC5(O)CC | InChi: | InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1 | Synonyms: | aclacinomycin T | Definition date: | 2014-11-14 | Last modified: | 2021-03-01 | Release date: | 2015-07-29 | Identifier: | methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate |
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| TAP | Name: | 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Formula: | C21 H28 N7 O16 P3 S | SMILES: | NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | InChi: | InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | Synonyms: | TATP | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate |
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| UVP | Name: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium | Formula: | C11 H16 N2 O8 P | SMILES: | O=P(O)([C@H]=CC1OC(C(C1O)OC)[n+]2c(O)nc(O)cc2)O | InChi: | InChI=1S/C11H15N2O8P/c1-20-9-8(15)6(3-5-22(17,18)19)21-10(9)13-4-2-7(14)12-11(13)16/h2-6,8-10,15H,1H3,(H3,12,14,16,17,18,19)/p+1/b5-3+/t6-,8-,9-,10-/m1/s1 | Synonyms: | uridine vinyl phosphonate | Definition date: | 2016-11-15 | Last modified: | 2021-03-01 | Release date: | 2016-12-14 | Identifier: | 1-[(5E)-5,6-dideoxy-2-O-methyl-6-phosphono-beta-D-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-ium |
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| 3VN | Name: | (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid | Formula: | C14 H30 N4 O4 | SMILES: | O=C(O)C(N)(CCC(N)(C(=O)O)CCCCN)CCCCN | InChi: | InChI=1S/C14H30N4O4/c15-9-3-1-5-13(17,11(19)20)7-8-14(18,12(21)22)6-2-4-10-16/h1-10,15-18H2,(H,19,20)(H,21,22)/t13-,14-/m1/s1 | Synonyms: | bis-Lysine | Definition date: | 2014-11-14 | Last modified: | 2021-03-01 | Release date: | 2016-02-17 | Identifier: | (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid (non-preferred name) |
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| TAY | Name: | 2,2-dimethylpropanamide | Formula: | C5 H11 N O | SMILES: | CC(C)(C)C(N)=O | InChi: | InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7) | Synonyms: | Trimethylacetamide | Definition date: | 2009-10-07 | Last modified: | 2021-03-01 | Identifier: | 2,2-dimethylpropanamide |
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| 3VV | Name: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | Formula: | C39 H68 N7 O17 P3 S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCC=C/CCCCCCCC | InChi: | InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1 | Synonyms: | oleoyl-CoA | Definition date: | 2014-11-19 | Last modified: | 2021-03-01 | Release date: | 2015-02-18 | Identifier: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) |
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| UW5 | Name: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol | Formula: | C22 H23 N5 O2 | SMILES: | OC(Cn2c1ncnc(c1c(n2)c3ccc4c(c3)ccc(c4)OC5CC5)N)(C)C | InChi: | InChI=1S/C22H23N5O2/c1-22(2,28)11-27-21-18(20(23)24-12-25-21)19(26-27)15-4-3-14-10-17(29-16-7-8-16)6-5-13(14)9-15/h3-6,9-10,12,16,28H,7-8,11H2,1-2H3,(H2,23,24,25) | Synonyms: | UW1553 | Definition date: | 2017-10-30 | Last modified: | 2021-03-01 | Release date: | 2017-12-06 | Identifier: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol |
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| YIN | Name: | (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine | Formula: | C24 H16 Br2 N4 O | SMILES: | Brc1ccc(cc1)C2N6N=CNC6=NC4=C2C(Oc3ccccc34)c5ccc(Br)cc5 | InChi: | InChI=1S/C24H16Br2N4O/c25-16-9-5-14(6-10-16)22-20-21(29-24-27-13-28-30(22)24)18-3-1-2-4-19(18)31-23(20)15-7-11-17(26)12-8-15/h1-13,22-23H,(H,27,28,29)/t22-,23+/m0/s1 | Synonyms: | chromenotriazolopyrimidine 1 | Definition date: | 2009-09-25 | Last modified: | 2021-03-01 | Identifier: | (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine |
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| 3W3 | Name: | 4-(allyloxy)benzenesulfonamide | Formula: | C9 H11 N O3 S | SMILES: | O=S(=O)(N)c1ccc(OCC=C)cc1 | InChi: | InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12) | Synonyms: | 4-(prop-2-en-1-yloxy)benzenesulfonamide | Definition date: | 2014-11-24 | Last modified: | 2021-03-01 | Release date: | 2015-04-22 | Identifier: | 4-(prop-2-en-1-yloxy)benzenesulfonamide |
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| VCG | Name: | 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside | Formula: | C32 H60 O10 | SMILES: | C(CC(OCCOCC(OCCO)C1C(OCCO)CC(O1)OCCO)=O)CCCCC[C@H]=[C@H]CCCCCCCC | InChi: | InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-27-29(39-22-19-34)32-28(38-21-18-33)26-31(42-32)41-23-20-35/h9-10,28-29,31-35H,2-8,11-27H2,1H3/b10-9+/t28-,29+,31-,32+/m1/s1 | Synonyms: | Polysorbate 80 | Definition date: | 2020-07-28 | Last modified: | 2021-03-01 | Release date: | 2020-08-26 | Identifier: | 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside |
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| SIP | Name: | 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | Formula: | C23 H26 F N3 O2 | SMILES: | Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4 | InChi: | InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | Synonyms: | Spiperone | Definition date: | 2017-08-08 | Last modified: | 2021-03-01 | Release date: | 2020-12-30 | Identifier: | 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
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| ZMG | Name: | (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one | Formula: | C12 H13 F N2 O S | SMILES: | Fc1ccccc1NC2=NC(=O)C(S2)C(C)C | InChi: | InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1 | Synonyms: | (R)-2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-one | Definition date: | 2008-01-09 | Last modified: | 2021-03-01 | Identifier: | (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one |
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| SIS | Name: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside | Formula: | C19 H37 N5 O7 | SMILES: | O(C2C(O)C(OC1OC(=CCC1N)CN)C(N)CC2N)C3OCC(O)(C(NC)C3O)C | InChi: | InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1 | Synonyms: | Sisomicin | Definition date: | 2012-06-12 | Last modified: | 2021-03-01 | Identifier: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside |
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