 | | HJ1 | | Name: | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide | | Formula: | C11 H16 N2 O3 | | SMILES: | C(N)CC(NCCc1cc(c(cc1)O)O)=O | | InChi: | InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16) | | Synonyms: | beta-alanyl-dopamine | | Definition date: | 2018-07-03 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-30 | | Identifier: | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide |
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 | | S8F | | Name: | 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine | | Formula: | C17 H18 F N5 | | SMILES: | Fc1cccc(c1)CCCNCc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C17H18FN5/c18-15-5-1-3-14(11-15)4-2-7-19-12-16-6-8-21-17(22-16)23-10-9-20-13-23/h1,3,5-6,8-11,13,19H,2,4,7,12H2 | | Synonyms: | N-(2-(1H-IMIDAZOL-1-YL)-4-PYRIMIDYLMETHYL)-3-(3-FLUOROPHENYL)PROPAN-1-AMINE | | Definition date: | 2014-10-21 | | Last modified: | 2021-03-01 | | Release date: | 2014-12-24 | | Identifier: | 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine |
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 | | XX6 | | Name: | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL | | Formula: | C20 H23 N O4 | | SMILES: | OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO | | InChi: | InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m1/s1 | | Synonyms: | (R)-DIHYDROXY-PHENANTHRENOLOL | | Definition date: | 2007-06-19 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2R)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol |
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 | | V47 | | Name: | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine | | Formula: | C19 H19 N5 O6 | | SMILES: | OC2C(CCC(=O)c1cccc(C(=O)O)c1)OC(C2O)n4cnc3c4ncnc3N | | InChi: | InChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1 | | Synonyms: | Aminofutalosine | | Definition date: | 2020-06-23 | | Last modified: | 2021-03-01 | | Release date: | 2020-07-15 | | Identifier: | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine |
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 | | W01 | | Name: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL | | Formula: | C17 H21 N5 O2 | | SMILES: | n1n(nnc1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C | | InChi: | InChI=1S/C17H21N5O2/c1-11-8-14(17-18-21-22(4)19-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3 | | Synonyms: | WIN61209 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 5-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-2-methyl-2H-tetrazole |
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 | | W02 | | Name: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL | | Formula: | C17 H21 N5 O2 | | SMILES: | n1c(nnn1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C | | InChi: | InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3 | | Synonyms: | WIN68934 | | Definition date: | 1999-07-20 | | Last modified: | 2021-03-01 | | Identifier: | 2-{3,5-dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl}-5-methyl-2H-tetrazole |
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 | | XYN | | Name: | 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid | | Formula: | C5 H6 O5 S | | SMILES: | OC(=O)CSCC(=O)C(O)=O | | InChi: | InChI=1S/C5H6O5S/c6-3(5(9)10)1-11-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) | | Synonyms: | 3-(carboxymethylthio)-2-oxopropanoic acid | | Definition date: | 2010-02-05 | | Last modified: | 2021-03-01 | | Identifier: | 3-(carboxymethylsulfanyl)-2-oxo-propanoic acid |
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 | | HLW | | Name: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine | | Formula: | C18 H20 Cl N5 | | SMILES: | Clc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2 | | Synonyms: | N-2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL-3-(3-CHLOROPHENYL)PROPAN-1-AMINE | | Definition date: | 2014-10-21 | | Last modified: | 2021-03-01 | | Release date: | 2014-12-24 | | Identifier: | 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
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 | | WJZ | | Name: | TIOPRONIN | | Formula: | C5 H9 N O3 S | | SMILES: | C[CH](S)C(=O)NCC(O)=O | | InChi: | InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1 | | Synonyms: | THIOLA | | Definition date: | 2015-06-25 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-07 | | Identifier: | 2-[[(2S)-2-sulfanylpropanoyl]amino]ethanoic acid |
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 | | HMG | | Name: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A | | Formula: | C27 H39 N7 O20 P3 S | | SMILES: | [O-]C(=O)CC(O)(C)CC(=O)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 | | InChi: | InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1 | | Synonyms: | (S)-HMG-COA | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name) |
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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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 | | V7G | | Name: | N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Formula: | C30 H35 N5 O5 S | | SMILES: | C(C(NC(=O)C(NC(c2cc1c(OC)cccc1n2)=O)CC(C)C)CC3CCNC3=O)(c5nc4c(cccc4)s5)O | | InChi: | InChI=1S/C30H35N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,26,32,36H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-,26-/m0/s1 | | Synonyms: | GRL-024-20 | | Definition date: | 2020-07-13 | | Last modified: | 2021-03-01 | | Release date: | 2020-08-19 | | Identifier: | N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide |
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 | | HNC | | Name: | S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine | | Formula: | C12 H23 N O4 S | | SMILES: | O=C(O)C(N)CSC(C(O)CCCCC)CC=O | | InChi: | InChI=1S/C12H23NO4S/c1-2-3-4-5-10(15)11(6-7-14)18-8-9(13)12(16)17/h7,9-11,15H,2-6,8,13H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1 | | Synonyms: | Cysteine covalently modified with 4-hydroxy-2-nonenal | | Definition date: | 2009-09-17 | | Last modified: | 2021-03-01 | | Identifier: | S-[(3S,4R)-4-hydroxy-1-oxononan-3-yl]-L-cysteine |
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 | | SCV | | Name: | N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE | | Formula: | C14 H22 N2 O8 S | | SMILES: | O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)C(=O)S | | InChi: | InChI=1S/C14H22N2O8S/c1-6(2)10(12(20)21)24-13(22)9(14(23)25)16-8(17)5-3-4-7(15)11(18)19/h6-7,9-10H,3-5,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,23,25)/t7-,9+,10+/m0/s1 | | Synonyms: | L-D-(A-AMINOADIPOYL)-L-(B-OXO)-CYSTEINE | | Definition date: | 2001-04-20 | | Last modified: | 2021-03-01 | | Identifier: | N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylcarbonyl)ethyl]-6-oxo-L-lysine |
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 | | SDK | | Name: | 1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE | | Formula: | C31 H42 N4 O7 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NCC(=O)CNC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C | | InChi: | InChI=1S/C31H42N4O7/c1-21(2)15-26(34-30(39)41-19-23-11-7-5-8-12-23)28(37)32-17-25(36)18-33-29(38)27(16-22(3)4)35-31(40)42-20-24-13-9-6-10-14-24/h5-14,21-22,26-27H,15-20H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)(H,35,40)/t26-,27-/m0/s1 | | Synonyms: | SYMMETRIC DIACYLAMINOETHYL KETONE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | benzyl [(1S,9S)-1,9-bis(2-methylpropyl)-2,5,8,11-tetraoxo-13-phenyl-12-oxa-3,7,10-triazatridec-1-yl]carbamate (non-preferred name) |
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 | | BA0 | | Name: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide | | Formula: | C27 H31 N5 O3 | | SMILES: | C1CN(C(CC)=O)CCC1C3CCNc2c(C(N)=O)c(nn23)c4ccc(cc4)Oc5ccccc5 | | InChi: | InChI=1S/C27H31N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h3-11,18,22,29H,2,12-17H2,1H3,(H2,28,34)/t22-/m0/s1 | | Synonyms: | Zanubrutinib | | Definition date: | 2019-01-30 | | Last modified: | 2021-03-01 | | Release date: | 2019-10-23 | | Identifier: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
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 | | SFM | | Name: | (13E,15E)-(3S,6S,9R,10R,11S,12S,18S,21S)-10,12-DIHYDROXY-3-(3-HYDROXYBEN-ZYL)-18-((E)-3-HYDROXY-1-METHYLPROPENYL)-6-ISOPROPYL-11-METHYL-9-(3-OXO-BUTYL)-19-OXA-1,4,7,25-TETRAAZA-BICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRAONE | | Formula: | C39 H56 N4 O10 | | SMILES: | O=C1OC(C(=C/CO)/C)CC=CC=CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC(C(=O)N2NC1CCC2)Cc3cccc(O)c3)C(C)C)CCC(=O)C | | InChi: | InChI=1S/C39H56N4O10/c1-23(2)34-37(50)40-31(22-27-11-9-12-28(46)21-27)38(51)43-19-10-13-30(42-43)39(52)53-33(24(3)18-20-44)15-8-6-7-14-32(47)26(5)35(48)29(36(49)41-34)17-16-25(4)45/h6-9,11-12,14,18,21,23,26,29-35,42,44,46-48H,10,13,15-17,19-20,22H2,1-5H3,(H,40,50)(H,41,49)/b8-6+,14-7+,24-18+/t26-,29+,30-,31-,32-,33-,34-,35+/m0/s1 | | Synonyms: | ANALOGUE OF MACROLIDE FROM DEGRADED SANGLIFEHRIN A | | Definition date: | 2003-03-14 | | Last modified: | 2021-03-01 | | Identifier: | (3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-10,12-dihydroxy-3-(3-hydroxybenzyl)-18-[(2E)-4-hydroxybut-2-en-2-yl]-11-methyl-9-(3-oxobutyl)-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone |
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 | | BD2 | | Name: | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | | Formula: | C27 H26 N2 O6 | | SMILES: | O=C(c1ccccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)cc3 | | InChi: | InChI=1S/C27H26N2O6/c30-20-13-11-18(12-14-20)26(33)29-22-16-28-15-3-6-24(22)35-27(34)19-9-7-17(8-10-19)25(32)21-4-1-2-5-23(21)31/h1-2,4-5,7-14,22,24,28,30-31H,3,6,15-16H2,(H,29,33)/t22-,24-/m1/s1 | | Synonyms: | BALANOL ANALOG 2 | | Definition date: | 2003-12-01 | | Last modified: | 2021-03-01 | | Identifier: | (3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-[(2-hydroxyphenyl)carbonyl]benzoate |
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 | | SH0 | | Name: | 3,3',3'',3'''-[(1R,2S,3S,4S,7S,8S,11S,12S,13S,16S,19S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate | | Formula: | C42 H52 N4 O16 | | SMILES: | O=C(O)CCC1=C(C2=NC1CC5N=C(C=C4NC(=CC3NC(=C2)C(C)(C3CCC(=O)O)CC(=O)O)C(CC(=O)O)(C)C4CCC(=O)O)C(CC(=O)O)C5CCC(=O)O)CC(=O)O | | InChi: | InChI=1S/C42H52N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,19,21,23-26,30,45-46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,31-15-,32-16-/t19-,21-,23+,24+,25+,26-,30+,41-,42-/m0/s1 | | Synonyms: | Sirohydrochlorin | | Definition date: | 2014-07-09 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-16 | | Identifier: | 3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,12S,13S,19S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-1,2,3,7,8,11,12,13,19,20-decahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
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 | | SHI | | Name: | (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID | | Formula: | C6 H8 N2 O4 | | SMILES: | O=C(O)C(N)Cc1conc1O | | InChi: | InChI=1S/C6H8N2O4/c7-4(6(10)11)1-3-2-12-8-5(3)9/h2,4H,1,7H2,(H,8,9)(H,10,11)/t4-/m0/s1 | | Synonyms: | (S)-DES-ME-AMPA | | Definition date: | 2002-09-18 | | Last modified: | 2021-03-01 | | Identifier: | 3-(3-hydroxyisoxazol-4-yl)-L-alanine |
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 | | BFQ | | Name: | IBANDRONATE | | Formula: | C9 H23 N O7 P2 | | SMILES: | O=P(O)(O)C(O)(CCN(CCCCC)C)P(=O)(O)O | | InChi: | InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17) | | Synonyms: | [1-HYDROXY-3-(METHYL-PENTYL-AMINO)-1-PHOSPHONO-PROPYL]-PHOSPHONIC ACID | | Definition date: | 2006-01-11 | | Last modified: | 2021-03-01 | | Identifier: | {1-hydroxy-3-[methyl(pentyl)amino]propane-1,1-diyl}bis(phosphonic acid) |
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 | | BFU | | Name: | 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA | | Formula: | C18 H17 Br F N3 O3 | | SMILES: | O=C(Nc1ncc(Br)cc1)NC3CC3c2c(F)ccc(C(=O)CC)c2O | | InChi: | InChI=1S/C18H17BrFN3O3/c1-2-14(24)10-4-5-12(20)16(17(10)25)11-7-13(11)22-18(26)23-15-6-3-9(19)8-21-15/h3-6,8,11,13,25H,2,7H2,1H3,(H2,21,22,23,26)/t11-,13+/m1/s1 | | Synonyms: | MSC204 | | Definition date: | 2000-02-10 | | Last modified: | 2021-03-01 | | Identifier: | 1-(5-bromopyridin-2-yl)-3-[(1S,2S)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea |
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 | | BGD | | Name: | N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]-L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO-METHYL)]-L-PHENYLALANINEAMIDE | | Formula: | C32 H34 F4 N4 O12 P2 | | SMILES: | FC(F)(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)C(NC(=O)c2ccccc2)CCC(=O)O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O)P(=O)(O)O | | InChi: | InChI=1S/C32H34F4N4O12P2/c33-31(34,53(47,48)49)21-10-6-18(7-11-21)16-24(27(37)43)39-30(46)25(17-19-8-12-22(13-9-19)32(35,36)54(50,51)52)40-29(45)23(14-15-26(41)42)38-28(44)20-4-2-1-3-5-20/h1-13,23-25H,14-17H2,(H2,37,43)(H,38,44)(H,39,46)(H,40,45)(H,41,42)(H2,47,48,49)(H2,50,51,52)/t23-,24-,25-/m0/s1 | | Synonyms: | 4-BENZOYLAMINO-4-{1-{1-CARBAMOYL-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-BUTYRIC ACID | | Definition date: | 2002-05-16 | | Last modified: | 2021-03-01 | | Identifier: | N-(phenylcarbonyl)-L-alpha-glutamyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-4-[difluoro(phosphono)methyl]-L-phenylalaninamide |
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 | | SKP | | Name: | 5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-4-HYDROXY-3-PHOSPHONOOXY-CYCLOHEX-1-ENECARBOXYLIC ACID | | Formula: | C10 H16 O14 P2 | | SMILES: | O=C(O)C(OP(=O)(O)O)(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)C | | InChi: | InChI=1S/C10H16O14P2/c1-10(9(14)15,24-26(19,20)21)22-5-2-4(8(12)13)3-6(7(5)11)23-25(16,17)18/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1 | | Synonyms: | 5-(1-CARBOXY-1-PHOSPHONOOXY-ETHOXYL)-SHIKIMATE-3-PHOSPHATE | | Definition date: | 2003-08-13 | | Last modified: | 2021-03-01 | | Identifier: | (3R,4S,5R)-5-[(1S)-1-carboxy-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid |
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 | | SLN | | Name: | 1-(4-AZIDO-2-NITROPHENYL)AMINO-3-(1-OXYL-2,2,5,5-TETRAMETHYLPYRROLIDINYL-3-CARBAMIDO)-2-PROPYLDISPHOSPHATE | | Formula: | C18 H29 N7 O11 P2 | | SMILES: | [O-][N+](=O)c1cc(/N=[N+]=[N-])ccc1NCC(OP(=O)(O)OP(=O)(O)O)CNC(=O)C2C(N(O)C(C)(C)C2)(C)C | | InChi: | InChI=1S/C18H29N7O11P2/c1-17(2)8-13(18(3,4)25(17)29)16(26)21-10-12(35-38(33,34)36-37(30,31)32)9-20-14-6-5-11(22-23-19)7-15(14)24(27)28/h5-7,12-13,20,29H,8-10H2,1-4H3,(H,21,26)(H,33,34)(H2,30,31,32)/t12-,13-/m0/s1 | | Synonyms: | (SL-NANDP) | | Definition date: | 2003-04-22 | | Last modified: | 2021-03-01 | | Identifier: | (1S)-2-[(4-azido-2-nitrophenyl)amino]-1-[({[(3R)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl]carbonyl}amino)methyl]ethyl trihydrogen diphosphate |
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