 | | CSC | | Name: | 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM | | Formula: | C16 H22 N3 O8 S | | SMILES: | O=C2N1C(=C(CSC1C2NC(=O)CCCC(C(=O)O)[NH3+])COC(=O)C)C(=O)O | | InChi: | InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/p+1/t9-,11-,14-/m1/s1 | | Synonyms: | CEPHALOSPORIN C | | Definition date: | 2003-07-18 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-5-({(6R,7R)-3-[(acetyloxy)methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}amino)-1-carboxy-5-oxopentan-1-aminium |
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 | | CSF | | Name: | CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID | | Formula: | C20 H30 F N4 O16 P | | SMILES: | FC3C(O)C(NC(=O)C)C(OC3(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)C(=O)O)C(O)C(O)CO | | InChi: | InChI=1S/C20H30FN4O16P/c1-6(27)23-10-13(31)16(21)20(18(33)34,40-15(10)11(29)7(28)4-26)41-42(36,37)38-5-8-12(30)14(32)17(39-8)25-3-2-9(22)24-19(25)35/h2-3,7-8,10-17,26,28-32H,4-5H2,1H3,(H,23,27)(H,33,34)(H,36,37)(H2,22,24,35)/t7-,8-,10-,11-,12-,13-,14-,15-,16-,17-,20-/m1/s1 | | Synonyms: | CMP-3FNEUAC | | Definition date: | 2003-12-04 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3R,4R,5R,6R)-5-(acetylamino)-2-{[(R)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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 | | CSG | | Name: | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) | | Formula: | C9 H17 N4 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(N)C2O | | InChi: | InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3,11H2,(H,19,20)(H,21,22)(H2,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 2'-amino-2'-deoxycytidine-5'-triphosphate | | Definition date: | 2009-04-23 | | Last modified: | 2020-06-17 | | Identifier: | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) |
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 | | 1Y9 | | Name: | vibralactone, bound form | | Formula: | C12 H18 O3 | | SMILES: | O=CC1(C=C(CC1O)CO)CC=C(/C)C | | InChi: | InChI=1S/C12H18O3/c1-9(2)3-4-12(8-14)6-10(7-13)5-11(12)15/h3,6,8,11,13,15H,4-5,7H2,1-2H3/t11-,12-/m0/s1 | | Synonyms: | (1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde | | Definition date: | 2013-08-01 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-25 | | Identifier: | (1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde |
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 | | 1YK | | Name: | territrem B | | Formula: | C29 H34 O9 | | SMILES: | O=C4OC(c1cc(OC)c(OC)c(OC)c1)=CC=5OC3(C(O)(C2(C(=O)C=CC(C2(O)CC3)(C)C)C)CC4=5)C | | InChi: | InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1 | | Synonyms: | (4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,
11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione | | Definition date: | 2013-08-05 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-16 | | Identifier: | (4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione |
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 | | 1YQ | | Name: | (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | | Formula: | C21 H16 Cl N3 O4 | | SMILES: | N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)ccc3 | | InChi: | InChI=1S/C21H16ClN3O4/c22-16-6-7-18(29-17-5-1-3-15(13-17)4-2-9-23)19(14-16)28-12-11-25-10-8-20(26)24-21(25)27/h1-8,10,13-14H,11-12H2,(H,24,26,27)/b4-2+ | | Synonyms: | (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile | | Definition date: | 2013-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-25 | | Identifier: | (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
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 | | 1YR | | Name: | (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile | | Formula: | C21 H15 Br Cl N3 O4 | | SMILES: | N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)cc(Br)c3 | | InChi: | InChI=1S/C21H15BrClN3O4/c22-15-10-14(2-1-6-24)11-17(12-15)30-18-4-3-16(23)13-19(18)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+ | | Synonyms: | (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile | | Definition date: | 2013-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-25 | | Identifier: | (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile |
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 | | CTI | | Name: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium | | Formula: | C21 H18 N O4 | | SMILES: | O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)c(OC)c(OC)cc5 | | InChi: | InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1 | | Synonyms: | chelerythrine | | Definition date: | 2010-12-21 | | Last modified: | 2020-06-17 | | Identifier: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
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 | | 1Z0 | | Name: | N-methyl-D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(6-carboxy-1,3-benzothiazol-2-yl)carbonyl]butyl}-L-prolinamide | | Formula: | C29 H35 N7 O5 S | | SMILES: | O=C(N1CCCC1C(=O)NC(C(=O)c2nc3ccc(cc3s2)C(=O)O)CCCNC(=[N@H])N)C(NC)Cc4ccccc4 | | InChi: | InChI=1S/C29H35N7O5S/c1-32-21(15-17-7-3-2-4-8-17)27(39)36-14-6-10-22(36)25(38)34-20(9-5-13-33-29(30)31)24(37)26-35-19-12-11-18(28(40)41)16-23(19)42-26/h2-4,7-8,11-12,16,20-22,32H,5-6,9-10,13-15H2,1H3,(H,34,38)(H,40,41)(H4,30,31,33)/t20-,21+,22-/m0/s1 | | Synonyms: | RWJ-51438 | | Definition date: | 2008-08-15 | | Last modified: | 2020-06-17 | | Identifier: | N-methyl-D-phenylalanyl-N-[(2S)-5-carbamimidamido-1-(6-carboxy-1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-L-prolinamide |
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 | | CTS | | Name: | CASTANOSPERMINE | | Formula: | C8 H15 N O4 | | SMILES: | OC1CCN2C1C(O)C(O)C(O)C2 | | InChi: | InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1 | | Synonyms: | (1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYINDOLIZIDINE | | Definition date: | 2000-04-10 | | Last modified: | 2020-06-17 | | Identifier: | (1S,6S,7R,8R,8aR)-octahydroindolizine-1,6,7,8-tetrol |
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 | | 1Z7 | | Name: | N-(3-methylbutanoyl)-L-valyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L-
valinamide | | Formula: | C30 H50 N3 O8 P | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(CC(C)C)P(=O)(OC(C(=O)OC)Cc1ccccc1)O)C(C)C)C(C)C)CC(C)C | | InChi: | InChI=1S/C30H50N3O8P/c1-18(2)15-24(34)31-26(20(5)6)29(36)33-27(21(7)8)28(35)32-25(16-19(3)4)42(38,39)41-23(30(37)40-9)17-22-13-11-10-12-14-22/h10-14,18-21,23,25-27H,15-17H2,1-9H3,(H,31,34)(H,32,35)(H,33,36)(H,38,39)/t23-,25+,26-,27-/m0/s1 | | Synonyms: | IVA-VAL-VAL-LP(0)FOMe | | Definition date: | 2008-08-19 | | Last modified: | 2020-06-17 | | Identifier: | N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-valinamide |
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 | | 1ZK | | Name: | 4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carba
moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium | | Formula: | C45 H62 N7 O7 | | SMILES: | O=C(NCc1ncccc1)C(NC(=O)C(C(C)C)C(O)C(O)C(NC(=O)C(NC(=O)COc3c2ccccc2ccc3)Cc4cnc[nH+]4)CC5CCCCC5)C(C)CC | | InChi: | InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/p+1/t29-,35-,36-,39+,40-,41+,42+/m0/s1 | | Synonyms: | U75875 | | Definition date: | 2008-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(2S)-3-{[(1S,2R,3R,4R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium |
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 | | CU9 | | Name: | 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium | | Formula: | C40 H48 N2 O6 | | SMILES: | O(c7ccc5cc7Oc1cc2c(cc1OC)CC[N+](C2Cc6ccc(Oc3c4c(cc(OC)c3OC)CC[N+](C)(C)C4C5)cc6)(C)C)C | | InChi: | InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1 | | Synonyms: | metocurine | | Definition date: | 2010-10-29 | | Last modified: | 2020-06-17 | | Identifier: | 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium |
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 | | CUE | | Name: | Coumestrol | | Formula: | C15 H8 O5 | | SMILES: | O=C3Oc4cc(O)ccc4c2oc1c(ccc(O)c1)c23 | | InChi: | InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H | | Synonyms: | 3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one | | Definition date: | 2009-09-29 | | Last modified: | 2020-06-17 | | Identifier: | 3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one |
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 | | 20A | | Name: | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | | Formula: | C21 H25 N5 O2 | | SMILES: | O=C(NCc1ccccc1)c2c(c3c(nc2)n(nc3)CC)NC4CCOCC4 | | InChi: | InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27) | | Synonyms: | N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide | | Definition date: | 2008-05-17 | | Last modified: | 2020-06-17 | | Identifier: | N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
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 | | 20B | | Name: | 2-(3-hydroxyphenyl)-4H-chromen-4-one | | Formula: | C15 H10 O3 | | SMILES: | O=C1c3c(OC(=C1)c2cccc(O)c2)cccc3 | | InChi: | InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H | | Synonyms: | 3'-hydroxyflavone | | Definition date: | 2012-10-19 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 2-(3-hydroxyphenyl)-4H-chromen-4-one |
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 | | 20C | | Name: | 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid | | Formula: | C16 H11 N O5 | | SMILES: | O=C(O)c1ccc(cc1O)N3C(=O)c2cccc(c2C3=O)C | | InChi: | InChI=1S/C16H11NO5/c1-8-3-2-4-11-13(8)15(20)17(14(11)19)9-5-6-10(16(21)22)12(18)7-9/h2-7,18H,1H3,(H,21,22) | | Synonyms: | 2-hydroxy-4-(4-methyl-1,3-dioxo-2,3-dihydro-1H- isoindol-2-yl)benzoic acid | | Definition date: | 2009-08-06 | | Last modified: | 2020-06-17 | | Identifier: | 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid |
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 | | CUV | | Name: | Fe(4)-Ni(1)-S(4) cluster, oxidized | | Formula: | Fe4 Ni S4 | | SMILES: | [Ni].[Fe]S[Fe]1S[Fe]S[Fe]S1 | | InChi: | InChI=1S/4Fe.Ni.4S | | Synonyms: | C cluster, oxidized | | Definition date: | 2017-10-03 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-03 | | Identifier: | 1$l^{3},3,5-trithia-2$l^{3},4$l^{3},6$l^{2}-triferrabicyclo[2.2.0]hexan-2-ylsulfanyl(nickelio)iron |
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 | | 20V | | Name: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic
acid | | Formula: | C18 H15 N4 O14 P S2 | | SMILES: | O=S(=O)(O)c3c2cc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc(c2cc([N+]([O-])=O)c3)S(=O)(=O)O | | InChi: | InChI=1S/C18H15N4O14PS2/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35/h2-6,24H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35)/b21-20+ | | Synonyms: | PPNDS | | Definition date: | 2013-08-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-02-12 | | Identifier: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid |
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 | | CV1 | | Name: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8
,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide | | Formula: | C15 H21 Br N5 O13 P2 | | SMILES: | Brc2nc1c(N)[n+]4cnc1n2C3OC(C(O)C3O)COP(=O)(OP(=O)(O)OCC5OC4C(O)C5O)O | | InChi: | InChI=1S/C15H20BrN5O13P2/c16-15-19-6-11(17)20-3-18-12(6)21(15)14-10(25)8(23)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(22)9(24)13(20)32-4/h3-5,7-10,13-14,17,22-25H,1-2H2,(H2,26,27,28,29)/p-1/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1 | | Synonyms: | 8-BROMO-CYCLIC-ADP-RIBOSE | | Definition date: | 2011-09-07 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4S,5R,8R,10R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18,20,22-tetraene 8,10-dioxide (non-preferred name) |
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 | | 210 | | Name: | PAMIDRONATE | | Formula: | C3 H11 N O7 P2 | | SMILES: | O=P(O)(O)C(O)(CCN)P(=O)(O)O | | InChi: | InChI=1S/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11) | | Synonyms: | (3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID | | Definition date: | 2006-01-11 | | Last modified: | 2020-06-17 | | Identifier: | (3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid) |
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 | | 219 | | Name: | cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate | | Formula: | C14 H19 O5 P | | SMILES: | c1ccc(c(c1)OP(O)(OCC2CCCCC2)=O)C=O | | InChi: | InChI=1S/C14H19O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,16,17) | | Synonyms: | PAS219 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate |
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 | | CVU | | Name: | L-Fuculose open form | | Formula: | C6 H12 O5 | | SMILES: | O=C(C(O)C(O)C(O)C)CO | | InChi: | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1 | | Synonyms: | 6-deoxy-L-tagatose | | Definition date: | 2013-08-16 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-11 | | Identifier: | 6-deoxy-L-tagatose |
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 | | 6UB | | Name: | amlodipine | | Formula: | C20 H25 Cl N2 O5 | | SMILES: | CCOC(=O)C1=C(COCCN)NC(=C([CH]1c2ccccc2Cl)C(=O)OC)C | | InChi: | InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m0/s1 | | Synonyms: | ~{O}3-ethyl ~{O}5-methyl
(4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | | Definition date: | 2016-06-27 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-31 | | Identifier: | ~{O}3-ethyl ~{O}5-methyl (4~{S})-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate |
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 | | CWH | | Name: | [(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth
yl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate | | Formula: | C27 H49 N O8 | | SMILES: | C[CH](CCNC(=O)[CH](C)O)CC[CH](O)CC[CH](C)CC[CH](C[CH]1O[CH](O)[CH](C)C(=O)[CH]1C)OC(C)=O | | InChi: | InChI=1S/C27H49NO8/c1-16(7-10-22(31)11-8-17(2)13-14-28-26(33)20(5)29)9-12-23(35-21(6)30)15-24-18(3)25(32)19(4)27(34)36-24/h16-20,22-24,27,29,31,34H,7-15H2,1-6H3,(H,28,33)/t16-,17+,18-,19+,20+,22+,23+,24-,27+/m1/s1 | | Synonyms: | LC-KA05 | | Definition date: | 2017-12-11 | | Last modified: | 2020-06-17 | | Release date: | 2018-09-19 | | Identifier: | [(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimethyl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate |
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