 | | TH9 | | 表記: | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid | | 組成式: | C19 H27 N O5 | | SMILES: | O=C(O)C(O)=CC(=O)NCCCc1cc(OCCCCCC)ccc1 | | InChi: | InChI=1S/C19H27NO5/c1-2-3-4-5-12-25-16-10-6-8-15(13-16)9-7-11-20-18(22)14-17(21)19(23)24/h6,8,10,13-14,21H,2-5,7,9,11-12H2,1H3,(H,20,22)(H,23,24)/b17-14- | | 別名: | BPH-1063 | | 定義日: | 2011-08-24 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid |
|
 | | THD | | 表記: | 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN
DIPHOSPHATE | | 組成式: | C14 H22 N4 O9 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCC=1SC(=C(O)CO)N(C=1C)Cc2cnc(nc2N)C | | InChi: | InChI=1S/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)/b14-11+ | | 別名: | ({ALPHA,BETA}-DIHYDROXYETHYL)-THIAMIN DIPHOSPHATE | | 定義日: | 2001-11-09 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-[(2E)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1,2-dihydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyl trihydrogen diphosphate |
|
 | | BBL | | 表記: | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | | 組成式: | C11 H13 N O4 | | SMILES: | O=C(O)C(NC(=O)OCc1ccccc1)C | | InChi: | InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1 | | 別名: | N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE | | 定義日: | 2005-07-07 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[(benzyloxy)carbonyl]-L-alanine |
|
 | | THH | | 表記: | N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID | | 組成式: | C20 H25 N7 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(c3c(nc(nc3NC2)N)O)C)CCC(=O)O | | InChi: | InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1 | | 別名: | 5-METHYLTETRAHYDROFOLATE | | 定義日: | 2004-11-16 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-{[4-({[(6S)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid |
|
 | | THM | | 表記: | THYMIDINE | | 組成式: | C10 H14 N2 O5 | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO | | InChi: | InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 | | 別名: | DEOXYTHYMIDINE | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | thymidine |
|
 | | THN | | 表記: | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | | 組成式: | C14 H14 N2 O5 S2 | | SMILES: | O=C(O)C(NC(=O)Cc1sccc1)C2=NC(C(=C)CS2)C(=O)O | | InChi: | InChI=1S/C14H14N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,10-11H,1,5-6H2,(H,15,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1 | | 別名: | HYDROLYZED CEPHALOTHIN | | 定義日: | 2002-02-07 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (4S)-2-{(R)-carboxy[(thiophen-2-ylacetyl)amino]methyl}-5-methylidene-5,6-dihydro-4H-1,3-thiazine-4-carboxylic acid |
|
 | | THT | | 表記: | TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER | | 組成式: | C20 H39 N O2 S | | SMILES: | O=C(SCCNC(=O)C)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C20H39NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-17-21-19(2)22/h3-18H2,1-2H3,(H,21,22) | | 別名: | C16-FATTY-ACYL-SUBSTRATE-MIMIC | | 定義日: | 1999-07-19 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | S-[2-(acetylamino)ethyl] hexadecanethioate |
|
 | | THX | | 表記: | PHOSPHONIC ACID
6-({6-[6-(6-CARBAMOYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDOCENE-2-CA
RBONYL]-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONL}-AMINO)-HEXYL ESTER 5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER | | 組成式: | C50 H53 N10 O12 P | | SMILES: | O=C(N)N%11c1c(c2cc(nc2cc1)C(=O)N%10c3c(c4cc(nc4cc3)C(=O)N9c5c(c6cc(nc6cc5)C(=O)NCCCCCCOP(=O)(O)OCC8OC(N7C(=O)NC(=O)C(=C7)C)CC8O)CC9)CC%10)CC%11 | | InChi: | InChI=1S/C50H53N10O12P/c1-26-24-60(50(67)56-45(26)62)44-23-42(61)43(72-44)25-71-73(68,69)70-19-5-3-2-4-15-52-46(63)36-20-30-27-12-16-57(39(27)9-6-33(30)53-36)47(64)37-21-31-28-13-17-58(40(28)10-7-34(31)54-37)48(65)38-22-32-29-14-18-59(49(51)66)41(29)11-8-35(32)55-38/h6-11,20-22,24,42-44,53-55,61H,2-5,12-19,23,25H2,1H3,(H2,51,66)(H,52,63)(H,68,69)(H,56,62,67)/t42-,43+,44+/m0/s1 | | 別名: | CDPI3 | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 5'-O-[(S)-{[6-({[6-({6-[(6-carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hexyl]oxy}(hydroxy)phosphoryl]thymidine |
|
 | | BC3 | | 表記: | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | | 組成式: | C12 H11 N5 O | | SMILES: | O=C1c2c(N=C(N1)N)c(cn2)Cc3cccnc3 | | InChi: | InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18) | | 別名: | peldesine,BCX-34 | | 定義日: | 2008-06-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
|
 | | BC4 | | 表記: | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one | | 組成式: | C11 H16 N2 O S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC#C | | InChi: | InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1 | | 別名: | biotin acetylene | | 定義日: | 2013-10-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-10-30 | | 識別子（ID）: | (3aS,4S,6aR)-4-(hex-5-yn-1-yl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one |
|
 | | BCG | | 表記: | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | | 組成式: | C16 H19 N O4 | | SMILES: | O=C(O)C3C1N(C)C(CC1)CC3OC(=O)c2ccccc2 | | InChi: | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 | | 別名: | BENZOYLECGONINE | | 定義日: | 2003-09-15 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid |
|
 | | TIC | | 表記: | ticlopidine | | 組成式: | C14 H14 Cl N S | | SMILES: | Clc1ccccc1CN3CCc2sccc2C3 | | InChi: | InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | | 別名: | 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine | | 定義日: | 2010-01-22 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine |
|
 | | BCZ | | 表記: | 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID | | 組成式: | C15 H28 N4 O4 | | SMILES: | O=C(O)C1CC(NC(=[N@H])N)C(C(NC(=O)C)C(CC)CC)C1O | | InChi: | InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1 | | 別名: | BCX-1812 | | 定義日: | 2002-03-18 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1S,2S,3R,4R)-3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentanecarboxylic acid |
|
 | | TIY | | 表記: | 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one | | 組成式: | C11 H8 O5 | | SMILES: | O=C2c1c(O)c(O)c(O)cc1C=CC=C2O | | InChi: | InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14) | | 別名: | Purpurogallin | | 定義日: | 2011-08-30 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one |
|
 | | TJ7 | | 表記: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4
-carboxylic acid | | 組成式: | C16 H20 N2 O7 S2 | | SMILES: | O=CC(OC)(C1SC(C(N1)C(O)=O)(C)C)NC(=O)C(C(O)=O)c2cscc2 | | InChi: | InChI=1S/C16H20N2O7S2/c1-15(2)10(13(23)24)17-14(27-15)16(7-19,25-3)18-11(20)9(12(21)22)8-4-5-26-6-8/h4-7,9-10,14,17H,1-3H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,14-,16+/m1/s1 | | 別名: | temocillin | | 定義日: | 2019-10-15 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-10-30 | | 識別子（ID）: | (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
|
 | | TJE | | 表記: | (2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid | | 組成式: | C24 H31 N2 O7 P | | SMILES: | O=C(O)C(CCc1ccccc1)CP(=O)(O)C(NC(=O)C(NC(=O)C)Cc2ccc(O)cc2)C | | InChi: | InChI=1S/C24H31N2O7P/c1-16(27)25-22(14-19-9-12-21(28)13-10-19)23(29)26-17(2)34(32,33)15-20(24(30)31)11-8-18-6-4-3-5-7-18/h3-7,9-10,12-13,17,20,22,28H,8,11,14-15H2,1-2H3,(H,25,27)(H,26,29)(H,30,31)(H,32,33)/t17-,20-,22+/m1/s1 | | 別名: | Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH | | 定義日: | 2014-12-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-01-20 | | 識別子（ID）: | (2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid |
|
 | | BDL | | 表記: | N-(biphenyl-4-ylsulfonyl)-D-leucine | | 組成式: | C18 H21 N O4 S | | SMILES: | O=C(O)C(NS(=O)(=O)c2ccc(c1ccccc1)cc2)CC(C)C | | InChi: | InChI=1S/C18H21NO4S/c1-13(2)12-17(18(20)21)19-24(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3,(H,20,21)/t17-/m1/s1 | | 別名: | (R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid | | 定義日: | 2008-09-18 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-(biphenyl-4-ylsulfonyl)-D-leucine |
|
 | | BDT | | 表記: | 5-beta-DIHYDROTESTOSTERONE | | 組成式: | C19 H30 O2 | | SMILES: | O=C2CC1CCC3C(C1(C)CC2)CCC4(C3CCC4O)C | | InChi: | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1 | | 別名: | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one | | 定義日: | 2008-07-15 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (5beta,8alpha,17beta)-17-hydroxyandrostan-3-one |
|
 | | BE3 | | 表記: | N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | 組成式: | C38 H38 F2 N2 O8 | | SMILES: | Fc1cccc(c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H38F2N2O8/c39-25-11-5-7-21(15-25)19-49-35(37(47)41-31-27-13-3-1-9-23(27)17-29(31)43)33(45)34(46)36(50-20-22-8-6-12-26(40)16-22)38(48)42-32-28-14-4-2-10-24(28)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | 別名: | INHIBITOR BEA403 | | 定義日: | 2004-08-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R,3R,4R,5R)-2,5-bis[(3-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
|
 | | BE4 | | 表記: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN
EDIAMIDE | | 組成式: | C38 H36 F4 N2 O8 | | SMILES: | Fc1ccc(c(F)c1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccc(F)cc4F)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H36F4N2O8/c39-23-11-9-21(27(41)15-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)13-29(31)45)33(47)34(48)36(52-18-22-10-12-24(40)16-28(22)42)38(50)44-32-26-8-4-2-6-20(26)14-30(32)46/h1-12,15-16,29-36,45-48H,13-14,17-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | 別名: | INHIBITOR BEA403 | | 定義日: | 2004-08-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R,3R,4R,5R)-2,5-bis[(2,4-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
|
 | | BE5 | | 表記: | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN
EDIAMIDE | | 組成式: | C38 H36 F4 N2 O8 | | SMILES: | Fc1cccc(c1F)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cccc(F)c4F)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H36F4N2O8/c39-25-13-5-9-21(29(25)41)17-51-35(37(49)43-31-23-11-3-1-7-19(23)15-27(31)45)33(47)34(48)36(52-18-22-10-6-14-26(40)30(22)42)38(50)44-32-24-12-4-2-8-20(24)16-28(32)46/h1-14,27-28,31-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t27-,28-,31+,32+,33-,34-,35-,36-/m1/s1 | | 別名: | HIV-1 INHIBITOR | | 定義日: | 2004-08-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R,3R,4R,5R)-2,5-bis[(2,3-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
|
 | | BEB | | 表記: | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | 組成式: | C38 H40 N2 O8 | | SMILES: | O=C(NC2c1ccccc1CC2O)C(OCc3ccccc3)C(O)C(O)C(OCc4ccccc4)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H40N2O8/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | 別名: | INHIBITOR BEA369 | | 定義日: | 2000-01-31 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
|
 | | BEC | | 表記: | [5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE | | 組成式: | C35 H43 N3 O8 | | SMILES: | O=C(NC)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc2ccccc2)C(=O)NC4c3ccccc3CC4O)C(C)C | | InChi: | InChI=1S/C35H43N3O8/c1-21(2)27(33(42)36-3)37-34(43)31(45-19-22-12-6-4-7-13-22)29(40)30(41)32(46-20-23-14-8-5-9-15-23)35(44)38-28-25-17-11-10-16-24(25)18-26(28)39/h4-17,21,26-32,39-41H,18-20H2,1-3H3,(H,36,42)(H,37,43)(H,38,44)/t26-,27+,28+,29-,30-,31-,32-/m1/s1 | | 別名: | INHIBITOR BEA388 | | 定義日: | 2000-01-31 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide (non-preferred name) |
|
 | | BED | | 表記: | N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | 組成式: | C38 H38 F2 N2 O8 | | SMILES: | Fc1ccccc1COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4ccccc4F)C(=O)NC6c5ccccc5CC6O | | InChi: | InChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1 | | 別名: | INHIBITOR BEA403 | | 定義日: | 2000-01-31 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R,3R,4R,5R)-2,5-bis[(2-fluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
|
 | | BEH | | 表記: | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE | | 組成式: | C36 H38 N2 O7 | | SMILES: | O=C(NCc1ccccc1)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O | | InChi: | InChI=1S/C36H38N2O7/c39-29-20-27-18-10-11-19-28(27)30(29)38-36(43)34(45-23-26-16-8-3-9-17-26)32(41)31(40)33(44-22-25-14-6-2-7-15-25)35(42)37-21-24-12-4-1-5-13-24/h1-19,29-34,39-41H,20-23H2,(H,37,42)(H,38,43)/t29-,30+,31-,32-,33-,34-/m1/s1 | | 別名: | INHIBITOR BEA435 | | 定義日: | 1999-10-05 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R,3R,4R,5R)-N-benzyl-2,5-bis(benzyloxy)-3,4-dihydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name) |
|
