 | | BE3 | | Name: | N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Formula: | 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 | | Synonyms: | INHIBITOR BEA403 | | Definition date: | 2004-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (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) |
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 | | BE4 | | Name: | (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 | | Formula: | 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 | | Synonyms: | INHIBITOR BEA403 | | Definition date: | 2004-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (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) |
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 | | BE5 | | Name: | (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 | | Formula: | 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 | | Synonyms: | HIV-1 INHIBITOR | | Definition date: | 2004-08-10 | | Last modified: | 2020-06-17 | | Identifier: | (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) |
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 | | BEB | | Name: | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Formula: | 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 | | Synonyms: | INHIBITOR BEA369 | | Definition date: | 2000-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (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) |
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 | | BED | | Name: | N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | Formula: | 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 | | Synonyms: | INHIBITOR BEA403 | | Definition date: | 2000-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (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) |
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 | | BEH | | Name: | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE | | Formula: | 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 | | Synonyms: | INHIBITOR BEA435 | | Definition date: | 1999-10-05 | | Last modified: | 2020-06-17 | | Identifier: | (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) |
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 | | BES | | Name: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID | | Formula: | C16 H24 N2 O4 | | SMILES: | O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C | | InChi: | InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1 | | Synonyms: | BESTATIN | | Definition date: | 2000-12-27 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine |
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 | | S98 | | Name: | 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C14 H12 N6 O S | | SMILES: | O=C1c2cc3nc(nc3cc2N=C(N)N1)NCc4sccc4 | | InChi: | InChI=1S/C14H12N6OS/c15-13-17-9-5-11-10(4-8(9)12(21)20-13)18-14(19-11)16-6-7-2-1-3-22-7/h1-5H,6H2,(H2,16,18,19)(H3,15,17,20,21) | | Synonyms: | 1-(2-thienyl)methyl-2-amino-lin-Benzogunaine | | Definition date: | 2008-01-31 | | Last modified: | 2020-06-17 | | Identifier: | 6-amino-2-[(thiophen-2-ylmethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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 | | BF0 | | Name: | methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate | | Formula: | C25 H32 N2 O6 | | SMILES: | O=C(OC)CCC(=O)NC1CCC5(O)C4N(CCC52c3c(ccc(O)c3OC12)C4)CC6CC6 | | InChi: | InChI=1S/C25H32N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-5,14,16,18,23,28,31H,2-3,6-13H2,1H3,(H,26,29)/t16-,18-,23+,24+,25-/m1/s1 | | Synonyms: | beta-funaltrexamine, bound form | | Definition date: | 2012-02-07 | | Last modified: | 2020-06-17 | | Identifier: | methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate |
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 | | BFI | | Name: | 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | | Formula: | C19 H11 Br F2 N2 O4 | | SMILES: | Brc1ccc(c(F)c1)CN4C(=O)c2ccc(F)cc2C3(C(=O)NC(=O)C3)C4=O | | InChi: | InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1 | | Synonyms: | MINALRESTAT | | Definition date: | 2003-07-07 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone |
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 | | S9T | | Name: | (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | | Formula: | C20 H25 N O4 | | SMILES: | COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23)cc1OC | | InChi: | InChI=1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m0/s1 | | Synonyms: | S-Tetrahydropapaverine | | Definition date: | 2016-07-11 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-07 | | Identifier: | (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
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 | | SA8 | | Name: | S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE | | Formula: | C15 H23 N7 O5 | | SMILES: | O=C(O)C(N)CCN(C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H23N7O5/c1-21(3-2-7(16)15(25)26)4-8-10(23)11(24)14(27-8)22-6-20-9-12(17)18-5-19-13(9)22/h5-8,10-11,14,23-24H,2-4,16H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | | Synonyms: | 5'-[N-[(3S)-3-AMINO-3-CARBOXYPROPYL]-N-METHYLAMINO]-5'-DEOXYADENOSINE | | Definition date: | 2005-03-16 | | Last modified: | 2020-06-17 | | Identifier: | 5'-{[(3S)-3-amino-3-carboxypropyl](methyl)amino}-5'-deoxyadenosine |
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 | | SAO | | Name: | 5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine | | Formula: | C14 H21 N6 O5 S | | SMILES: | [NH3+]C(C(O)=O)CCSCC1OC(C(C1O)O)n2cnc3c2ncnc3N | | InChi: | InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/p+1/t6-,7+,9+,10+,13+/m0/s1 | | Synonyms: | S-ADENOSYL-L-HOMOCYSTEINE | | Definition date: | 2016-04-08 | | Last modified: | 2020-06-17 | | Release date: | 2017-03-15 | | Identifier: | 5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine |
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 | | SAS | | Name: | 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID | | Formula: | C18 H14 N4 O5 S | | SMILES: | O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(C(=O)O)c(O)cc2)cc3 | | InChi: | InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+ | | Synonyms: | SULFASALAZINE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-hydroxy-5-{(E)-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl}benzoic acid |
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 | | SAU | | Name: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium | | Formula: | C20 H14 N O4 | | SMILES: | O1c3c(OC1)c2c[n+](c5c(c2cc3)ccc6cc4OCOc4cc56)C | | InChi: | InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1 | | Synonyms: | Sanguinarine | | Definition date: | 2010-07-25 | | Last modified: | 2020-06-17 | | Identifier: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium |
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 | | SB7 | | Name: | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | | Formula: | C10 H15 N O2 | | SMILES: | OCN(O)CCCc1ccccc1 | | InChi: | InChI=1S/C10H15NO2/c12-9-11(13)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,12-13H,4,7-9H2 | | Synonyms: | SB-485345 | | Definition date: | 2005-08-11 | | Last modified: | 2020-06-17 | | Identifier: | [hydroxy(3-phenylpropyl)amino]methanol |
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 | | BHE | | Name: | octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | Formula: | C20 H38 O10 | | SMILES: | O(CCCCCCCC)C2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO | | InChi: | InChI=1S/C20H38O10/c1-3-4-5-6-7-8-9-27-20-18(16(25)14(23)12(10-21)29-20)30-19-17(26)15(24)13(22)11(2)28-19/h11-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17-,18+,19-,20+/m0/s1 | | Synonyms: | H-antigen acceptor | | Definition date: | 2008-01-04 | | Last modified: | 2020-06-17 | | Identifier: | octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside |
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 | | BHF | | Name: | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | | Formula: | C19 H12 O2 | | SMILES: | O=C1c4c(OC(=C1)c2ccccc2)c3ccccc3cc4 | | InChi: | InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H | | Synonyms: | 7,8-BENZOFLAVONE | | Definition date: | 2006-06-30 | | Last modified: | 2020-06-17 | | Identifier: | 2-phenyl-4H-benzo[h]chromen-4-one |
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 | | BHN | | Name: | 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid | | Formula: | C20 H24 N2 O6 | | SMILES: | O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2O)CC(=O)O | | InChi: | InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28) | | Synonyms: | N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid | | Definition date: | 2010-05-26 | | Last modified: | 2020-06-17 | | Identifier: | 2,2'-{ethane-1,2-diylbis[(2-hydroxybenzyl)imino]}diacetic acid (non-preferred name) |
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 | | BI3 | | Name: | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | | Formula: | C23 H20 N4 O2 | | SMILES: | O=C5C(c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5 | | InChi: | InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29) | | Synonyms: | INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1 | | Definition date: | 2003-12-16 | | Last modified: | 2020-06-17 | | Identifier: | 3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione |
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 | | 35I | | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl
]prop-2-en-1-one | | Formula: | C27 H27 F3 N6 O3 | | SMILES: | FC(F)(F)CCC4c1c(cccc1)C=NN4C(=O)C=Cc2cc(cc(OC)c2OC)Cc3cnc(nc3N)N | | InChi: | InChI=1S/C27H27F3N6O3/c1-38-22-13-16(12-19-14-33-26(32)35-25(19)31)11-17(24(22)39-2)7-8-23(37)36-21(9-10-27(28,29)30)20-6-4-3-5-18(20)15-34-36/h3-8,11,13-15,21H,9-10,12H2,1-2H3,(H4,31,32,33,35)/b8-7+/t21-/m0/s1 | | Synonyms: | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl)pro
p-2-en-1-one | | Definition date: | 2012-04-17 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-08 | | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl]prop-2-en-1-one |
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 | | SF1 | | Name: | 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID | | Formula: | C22 H16 Cl N O2 S | | SMILES: | Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O)O)Cc4ccccc4 | | InChi: | InChI=1S/C22H16ClNO2S/c23-16-11-12-19-18(13-16)21(27-17-9-5-2-6-10-17)20(22(25)26)24(19)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,25,26) | | Synonyms: | SR145 | | Definition date: | 2007-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 1-benzyl-5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid |
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 | | 37A | | Name: | (1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)-N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE-3,7-DICARBOXAMIDE | | Formula: | C20 H21 N3 O5 | | SMILES: | O=C(N4CC3OC(C(=O)NCc2ccc(c1ccccc1)cc2)C(O3)C4)NO | | InChi: | InChI=1S/C20H21N3O5/c24-19(18-16-11-23(20(25)22-26)12-17(27-16)28-18)21-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,26H,10-12H2,(H,21,24)(H,22,25)/t16-,17-,18+/m0/s1 | | Synonyms: | (1S,5S,7R)-3-AZA-6,8-DIOXA-BICYCLO[3.2.1]OCTANE-3,7-DICARBOXYLIC ACID 7-[(BIPHENYL-4-YLMETHYL)-AMIDE]-3-HYDROXYAMIDE | | Definition date: | 2006-08-04 | | Last modified: | 2020-06-17 | | Identifier: | (1S,5S,7R)-N~7~-(biphenyl-4-ylmethyl)-N~3~-hydroxy-6,8-dioxa-3-azabicyclo[3.2.1]octane-3,7-dicarboxamide |
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 | | SFE | | Name: | (3S)-3-amino-3-phenylpropanoic acid | | Formula: | C9 H11 N O2 | | SMILES: | O=C(O)CC(N)c1ccccc1 | | InChi: | InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 | | Synonyms: | S-BETA-PHENYLALANINE | | Definition date: | 2011-05-30 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-3-amino-3-phenylpropanoic acid |
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 | | SFG | | Name: | SINEFUNGIN | | Formula: | C15 H23 N7 O5 | | SMILES: | O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1 | | Synonyms: | ADENOSYL-ORNITHINE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid (non-preferred name) |
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