 | | MGW | | Name: | methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate | | Formula: | C19 H24 N4 O5 | | SMILES: | O=C(O)CN(CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2 | | InChi: | InChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1 | | Synonyms: | ( (S)-2-[2-(Carboxymethyl-phenethyl-amino)-acetylamino]-3-(1H-imidazol-4-yl)-propionic acid methyl ester | | Definition date: | 2011-04-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-08-28 | | Identifier: | methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate |
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 | | MIR | | Name: | Monoethylphosphorylserine | | Formula: | C5 H12 N O6 P | | SMILES: | O=P(OCC)(OCC(N)C(=O)O)O | | InChi: | InChI=1S/C5H12NO6P/c1-2-11-13(9,10)12-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1 | | Synonyms: | O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine | | Definition date: | 2009-06-04 | | Last modified: | 2020-06-17 | | Identifier: | O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine |
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 | | MJI | | Name: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE | | Formula: | C22 H44 F3 O6 P | | SMILES: | FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C22H44F3O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-21(31-32(26,27)28-2)19-30-20-22(23,24)25/h21H,3-20H2,1-2H3,(H,26,27)/t21-/m1/s1 | | Synonyms: | MJ33 INHIBITOR | | Definition date: | 2000-10-17 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-2-(hexadecyloxy)-1-[(2,2,2-trifluoroethoxy)methyl]ethyl methyl hydrogen (R)-phosphate |
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 | | ML0 | | Name: | 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine | | Formula: | C27 H22 F4 N4 O3 | | SMILES: | Fc1cccc(c1)c2ccc(cc2)C(Oc4nc(nc(c3ccc(cc3)CC(C(=O)O)N)c4)N)C(F)(F)F | | InChi: | InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24+/m0/s1 | | Synonyms: | (S)-2-Amino-3-(4-{2-amino-6-[(S)-1-(3'-fluoro-biphenyl-4-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)-propionic acid | | Definition date: | 2009-05-31 | | Last modified: | 2020-06-17 | | Identifier: | 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine |
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 | | MLA | | Name: | MALONIC ACID | | Formula: | C3 H4 O4 | | SMILES: | O=C(O)CC(=O)O | | InChi: | InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) | | Synonyms: | DICARBOXYLIC ACID C3 | | Definition date: | 2001-08-17 | | Last modified: | 2020-06-17 | | Identifier: | propanedioic acid |
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 | | MMI | | Name: | N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4
-ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE | | Formula: | C38 H62 N6 O8 | | SMILES: | O=C(NCc1ccccc1)C(NC(=O)C(C)CC(O)C(NC(=O)C2NC(=O)C(NC(=O)OCCCCCCNC(=O)C2)C(C)C)CC(C)C)C(C)C | | InChi: | InChI=1S/C38H62N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h10-12,15-16,23-26,28-30,32-33,45H,8-9,13-14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28+,29+,30+,32+,33+/m1/s1 | | Synonyms: | MMI-175 | | Definition date: | 2004-12-06 | | Last modified: | 2020-06-17 | | Identifier: | (4S,7S)-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-4-(1-methylethyl)-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecane-7-carboxamide |
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 | | MMS | | Name: | MIMOSINE | | Formula: | C8 H10 N2 O4 | | SMILES: | O=C(O)C(N)CN1C=CC(=O)C(O)=C1 | | InChi: | InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1 | | Synonyms: | 3-HYDROXY-4-OXO-1(4H)-PYRIDINEALANINE | | Definition date: | 2002-08-22 | | Last modified: | 2020-06-17 | | Release date: | 2017-07-12 | | Identifier: | 3-(3-hydroxy-4-oxopyridin-1(4H)-yl)-L-alanine |
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 | | AVJ | | Name: | N,N,N-trimethyl-histidine | | Formula: | C9 H16 N3 O2 | | SMILES: | O=C(O)C(Cc1cncn1)[N+](C)(C)C | | InChi: | InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/p+1/t8-/m0/s1 | | Synonyms: | Hercynine | | Definition date: | 2014-12-11 | | Last modified: | 2020-06-17 | | Release date: | 2015-01-28 | | Identifier: | (1S)-1-carboxy-2-(1H-imidazol-5-yl)-N,N,N-trimethylethanaminium |
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 | | AVR | | Name: | (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one | | Formula: | C13 H17 N3 O | | SMILES: | O=C(c1c2ccccn2nc1C(C)C)C(N)C | | InChi: | InChI=1S/C13H17N3O/c1-8(2)12-11(13(17)9(3)14)10-6-4-5-7-16(10)15-12/h4-9H,14H2,1-3H3/t9-/m1/s1 | | Synonyms: | (R)-2-amino-1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one | | Definition date: | 2009-09-11 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-amino-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one |
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 | | AZ2 | | Name: | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID | | Formula: | C20 H24 O7 S | | SMILES: | O=S(=O)(Oc1ccc(cc1)CCOc2ccc(cc2)CC(OCC)C(=O)O)C | | InChi: | InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | | Synonyms: | AZ 242 | | Definition date: | 2001-03-30 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]propanoic acid |
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 | | AZS | | Name: | O-DIAZOACETYL-L-SERINE | | Formula: | C5 H7 N3 O4 | | SMILES: | O=C(OCC(N)C(=O)O)C=[N+]=[N-] | | InChi: | InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1 | | Synonyms: | ASASERINE | | Definition date: | 2007-09-20 | | Last modified: | 2020-06-17 | | Identifier: | O-(diazoacetyl)-L-serine |
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 | | B1C | | Name: | N-(tert-butoxycarbonyl)-L-tyrosine | | Formula: | C14 H19 N O5 | | SMILES: | O=C(NC(Cc1ccc(cc1)O)C(O)=O)OC(C)(C)C | | InChi: | InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1 | | Synonyms: | BOC-TYR | | Definition date: | 2016-11-14 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-30 | | Identifier: | N-(tert-butoxycarbonyl)-L-tyrosine |
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 | | B1L | | Name: | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-HYDROXYBENZOATE | | Formula: | C20 H22 N2 O5 | | SMILES: | O=C(OC2CCCNCC2NC(=O)c1ccc(O)cc1)c3ccc(O)cc3 | | InChi: | InChI=1S/C20H22N2O5/c23-15-7-3-13(4-8-15)19(25)22-17-12-21-11-1-2-18(17)27-20(26)14-5-9-16(24)10-6-14/h3-10,17-18,21,23-24H,1-2,11-12H2,(H,22,25)/t17-,18-/m1/s1 | | Synonyms: | BALANOL ANALOG 1 | | Definition date: | 2003-12-02 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-hydroxybenzoate |
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 | | 4WW | | Name: | bis(cyanido-kappaC)(dicarbonyl)-mu-(oxomethylidene)[mu-propane-1,3-bis(thiolate)-1kappa~2~S~1~,S~3~:2kappa~2~S~1~,S~3~]
diiron(2+) | | Formula: | C8 H6 Fe2 N2 O3 S2 | | SMILES: | O=C1[Fe]|2(S|3CCCS|2[Fe]1|3(C#N)C#[O+])(C#N)C#[O+] | | InChi: | InChI=1S/C3H6S2.2CN.3CO.2Fe/c4-2-1-3-5 | | Synonyms: | propane-dithiolato-bridged [2Fe2S] cluster | | Definition date: | 2015-06-15 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-11 |
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 | | B33 | | Name: | N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE | | Formula: | C11 H27 N3 | | SMILES: | N(CCC)CCCNCCCNCC | | InChi: | InChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3 | | Synonyms: | BE3 | | Definition date: | 2006-01-03 | | Last modified: | 2020-06-17 | | Identifier: | N-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine |
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 | | 515 | | Name: | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC
ACID | | Formula: | C40 H37 N3 O10 | | SMILES: | O=C(O)c1ccccc1N(C(=O)C(=O)O)c3c2c(cccc2)c(cc3)CC(NC(=O)C)C(=O)NCCCCCOc5c(cc4c(cccc4)c5)C(=O)O | | InChi: | InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)/t32-/m0/s1 | | Synonyms: | COMPOUND 23 | | Definition date: | 2003-01-30 | | Last modified: | 2020-06-17 | | Identifier: | 3-[(5-{[(2S)-2-(acetylamino)-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]naphthalen-1-yl}propanoyl]amino}pentyl)oxy]naphthalene-2-carboxylic acid (non-preferred name) |
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 | | 51Q | | Name: | (2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid | | Formula: | C6 H7 N3 O4 S | | SMILES: | OC(=O)C(SC=1C(=O)NC(O)=NN=1)C | | InChi: | InChI=1S/C6H7N3O4S/c1-2(5(11)12)14-4-3(10)7-6(13)9-8-4/h2H,1H3,(H,11,12)(H2,7,9,10,13)/t2-/m0/s1 | | Synonyms: | TyC5-03 | | Definition date: | 2015-07-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-10-19 | | Identifier: | (2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid |
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 | | 544 | | Name: | 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID | | Formula: | C31 H30 N2 O5 | | SMILES: | O=C(O)C(N/C(=CC(=O)c1ccccc1)C)Cc4ccc(OCCc2nc(oc2C)c3ccccc3)cc4 | | InChi: | InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,19,28,32H,17-18,20H2,1-2H3,(H,35,36)/b21-19-/t28-/m0/s1 | | Synonyms: | GW409544 | | Definition date: | 2001-10-25 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1Z)-1-methyl-3-oxo-3-phenylprop-1-en-1-yl]-O-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-L-tyrosine |
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 | | 557 | | Name: | N-[(2S)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide | | Formula: | C17 H22 F3 N3 O3 S | | SMILES: | O=S(=O)(NCC(c1ccc(cc1)n2nc(c(c2)CO)C(F)(F)F)C)C(C)C | | InChi: | InChI=1S/C17H22F3N3O3S/c1-11(2)27(25,26)21-8-12(3)13-4-6-15(7-5-13)23-9-14(10-24)16(22-23)17(18,19)20/h4-7,9,11-12,21,24H,8,10H2,1-3H3/t12-/m1/s1 | | Synonyms: | (R)-N-(2-(4-(4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)propyl)propane-2-sulfonamide | | Definition date: | 2010-11-23 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2S)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}propyl]propane-2-sulfonamide |
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 | | 55X | | Name: | S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12
-dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl}
(2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta
[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name) | | Formula: | C48 H75 N7 O15 P2 S | | SMILES: | C(SC(C(C)CCCC(C)C4CCC3C4(CCC2C1(CCC(=O)C=C1CCC23)C)C)=O)CNC(=O)CCNC(=O)C(O)C(COP(OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)OP(O)(=O)O)(O)=O)(C)C | | InChi: | InChI=1S/C48H75N7O15P2S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)73-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-68-72(65,66)67-23-35-39(70-71(62,63)64)38(58)44(69-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H2,49,52,53)(H2,62,63,64)/t27-,28+,31+,32-,33+,34+,35?,38?,39?,40?,44?,47+,48-/m1/s1 | | Synonyms: | S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxi
do-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl}
(2S,6R)-6-[(8S,9S,10R,13R,14R,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta
[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name) | | Definition date: | 2015-07-31 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-17 | | Identifier: | S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12-dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name) |
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 | | 56S | | Name: | propan-2-yl dodecanoate | | Formula: | C15 H30 O2 | | SMILES: | C(CC(OC(C)C)=O)CCCCCCCCC | | InChi: | InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3 | | Synonyms: | Isopropyl laurate | | Definition date: | 2015-08-05 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | propan-2-yl dodecanoate |
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 | | 57M | | Name: | Muraymycin D2 | | Formula: | C37 H61 N11 O16 | | SMILES: | C(CNC(C(CC(C)C)NC(=O)C(C1NC(N)=NCC1)NC(=O)NC(C(C)C)C(=O)O)=O)CNC(C(OC2C(O)C(C(O2)CN)O)C3C(O)C(C(O3)N4C=CC(NC4=O)=O)O)C(O)=O | | InChi: | InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1 | | Synonyms: | N-({(1S)-2-{[(2S)-1-{[3-({(1S,2S)-2-[(5-amino-5-deoxy-beta-D-ribofuranosyl)oxy]-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxo
-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]ethyl}amino)propyl]amino}-4-methyl-1-oxopentan-2-yl]am
ino}-1-[(4S)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-2-oxoethyl}carbamoyl)-L-valine | | Definition date: | 2015-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2016-03-02 | | Identifier: | N-({(1S)-2-{[(2S)-1-{[3-({(1S,2S)-2-[(5-amino-5-deoxy-beta-D-ribofuranosyl)oxy]-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]ethyl}amino)propyl]amino}-4-methyl-1-oxopentan-2-yl]amino}-1-[(4S)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-2-oxoethyl}carbamoyl)-L-valine |
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 | | F0G | | Name: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine | | Formula: | C11 H15 N2 O7 P | | SMILES: | n1c(c(O)c(C=NC(C(O)=O)C)c(COP(O)(O)=O)c1)C | | InChi: | InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1 | | Synonyms: | PLP-Ala | | Definition date: | 2018-02-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-21 | | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine |
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 | | F1M | | Name: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide | | Formula: | C24 H32 Cl N3 O6 S | | SMILES: | O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)cc3 | | InChi: | InChI=1S/C24H32ClN3O6S/c1-16(2)34-24-17(12-18(25)13-22(24)32-3)14-28-10-8-19(9-11-28)27-23(29)15-33-20-4-6-21(7-5-20)35(26,30)31/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,27,29)(H2,26,30,31) | | Synonyms: | N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide | | Definition date: | 2008-03-11 | | Last modified: | 2020-06-17 | | Identifier: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide |
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 | | F1N | | Name: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide | | Formula: | C25 H34 Cl N3 O6 S | | SMILES: | O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)c(c3)C | | InChi: | InChI=1S/C25H34ClN3O6S/c1-16(2)35-25-18(12-19(26)13-23(25)33-4)14-29-9-7-20(8-10-29)28-24(30)15-34-22-6-5-21(11-17(22)3)36(27,31)32/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,28,30)(H2,27,31,32) | | Synonyms: | N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide | | Definition date: | 2008-03-23 | | Last modified: | 2020-06-17 | | Identifier: | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide |
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