 | | GLG | | Name: | ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE | | Formula: | C7 H13 N O6 | | SMILES: | O=C(N)C1OC(CO)C(O)C(O)C1O | | InChi: | InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5-,6+/m1/s1 | | Definition date: | 2000-08-08 | | Last modified: | 2020-07-17 | | Identifier: | (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxamide (non-preferred name) |
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 | | GLT | | Name: | 5-thio-alpha-D-glucopyranose | | Formula: | C6 H12 O5 S | | SMILES: | OC1C(O)C(SC(O)C1O)CO | | InChi: | InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 | | Synonyms: | 5-DEOXY-5-THIO-ALPHA-D-GLUCOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 5-thio-alpha-D-glucopyranose |
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 | | GMH | | Name: | L-glycero-alpha-D-manno-heptopyranose | | Formula: | C7 H14 O7 | | SMILES: | OC1C(O)C(OC(O)C1O)C(O)CO | | InChi: | InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5-,6+,7-/m0/s1 | | Synonyms: | L-glycero-alpha-D-manno-heptose | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | L-glycero-alpha-D-manno-heptopyranose |
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 | | 5L2 | | Name: | methyl
(2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carb
oxylate | | Formula: | C14 H24 N2 O13 S2 | | SMILES: | C1(C(C(C(C(COC(=O)C)O1)O)O)O)S(=O)(=O)N2CC(OS(=O)(=O)N)CC2C(=O)OC | | InChi: | InChI=1S/C14H24N2O13S2/c1-6(17)27-5-9-10(18)11(19)12(20)14(28-9)30(22,23)16-4-7(29-31(15,24)25)3-8(16)13(21)26-2/h7-12,14,18-20H,3-5H2,1-2H3,(H2,15,24,25)/t7-,8+,9+,10-,11-,12-,14+/m1/s1 | | Definition date: | 2015-10-16 | | Last modified: | 2020-07-17 | | Release date: | 2015-10-28 | | Identifier: | methyl
(2S,4R)-1-({(2S,3R,4R,5S,6S)-6-[(acetyloxy)methyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl}sulfonyl)-4-(sulfamoyloxy)py
rrolidine-2-carboxylate (non-preferred name) |
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 | | GTR | | Name: | beta-D-galactopyranuronic acid | | Formula: | C6 H10 O7 | | SMILES: | C1(C(C(C(C(C(=O)O)O1)O)O)O)O | | InChi: | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1 | | Synonyms: | beta-D-galacturonic acid | | Definition date: | 2001-11-15 | | Last modified: | 2020-07-17 | | Identifier: | beta-D-galactopyranuronic acid |
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 | | GU4 | | Name: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose | | Formula: | C6 H12 O18 S4 | | SMILES: | OC1OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C(OS(=O)(O)=O)C1OS(=O)(=O)O | | InChi: | InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1 | | Synonyms: | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucose | | Definition date: | 2004-06-22 | | Last modified: | 2020-07-17 | | Identifier: | 2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose |
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 | | GUL | | Name: | (2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol | | Formula: | C6 H10 F2 O5 | | SMILES: | FC1OC(F)(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3+,4+,5?,6+/m1/s1 | | Synonyms: | 5-FLUORO-BETA-L-GULOSYL FLUORIDE | | Definition date: | 2003-09-03 | | Last modified: | 2020-07-17 | | Identifier: | (2R,3S,4R,5S,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) |
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 | | GUP | | Name: | alpha-L-gulopyranose | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6+/m0/s1 | | Synonyms: | alpha-L-gulose | | Definition date: | 1999-07-16 | | Last modified: | 2020-07-17 | | Identifier: | alpha-L-gulopyranose |
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 | | GXL | | Name: | alpha-L-galactopyranose | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m0/s1 | | Synonyms: | alpha-L-galactose | | Definition date: | 2005-04-18 | | Last modified: | 2020-07-17 | | Identifier: | alpha-L-galactopyranose |
|
 | | 4AM | | Name: | 4-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID | | Formula: | C11 H18 N2 O7 | | SMILES: | O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(C=1)N | | InChi: | InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1 | | Synonyms: | 4-amino-Neu5Ac2en | | Definition date: | 1999-07-08 | | Last modified: | 2020-07-17 | | Identifier: | 5-(acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid |
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 | | 4CQ | | Name: | 6-O-alpha-D-Glucosyl-beta-cyclodextrin | | Formula: | C48 H80 O40 | | SMILES: | OC1C(C(O)C(CO)OC1OCC5C6OC2OC(CO)C(C(C2O)O)OC3OC(CO)C(C(C3O)O)OC4OC(CO)C(C(C4O)O)OC9OC(C(OC8OC(C(OC7OC(C(OC(O5)C(C6O)O)C(C7O)O)CO)C(C8O)O)CO)C(C9O)O)CO)O | | InChi: | InChI=1S/C48H80O40/c49-1-9-17(56)18(57)26(65)41(74-9)73-8-16-40-25(64)33(72)48(81-16)87-39-15(7-55)79-46(31(70)23(39)62)85-37-13(5-53)77-44(29(68)21(37)60)83-35-11(3-51)75-42(27(66)19(35)58)82-34-10(2-50)76-43(28(67)20(34)59)84-36-12(4-52)78-45(30(69)22(36)61)86-38-14(6-54)80-47(88-40)32(71)24(38)63/h9-72H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48-/m1/s1 | | Definition date: | 2015-02-27 | | Last modified: | 2020-07-17 | | Release date: | 2015-04-01 | | Identifier: | (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name) |
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 | | 4GL | | Name: | alpha-D-gulopyranose | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6+/m1/s1 | | Synonyms: | alpha-D-gulose | | Definition date: | 2011-08-18 | | Last modified: | 2020-07-17 | | Release date: | 2020-07-29 | | Identifier: | alpha-D-gulopyranose |
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 | | 4N2 | | Name: | beta-L-idopyranose | | Formula: | C6 H12 O6 | | SMILES: | C1(OC(C(C(C1O)O)O)CO)O | | InChi: | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6-/m0/s1 | | Synonyms: | beta-L-idose | | Definition date: | 2016-03-21 | | Last modified: | 2020-07-17 | | Release date: | 2016-06-08 | | Identifier: | beta-L-idopyranose |
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 | | H3S | | Name: | HEPARIN DISACCHARIDE III-S | | Formula: | C12 H16 N O16 S2 | | SMILES: | [O-]S(=O)(=O)OC2C(O)C=C(OC2OC1C(OC(O)C(NS([O-])(=O)=O)C1O)CO)C([O-])=O | | InChi: | InChI=1S/C12H19NO16S2/c14-2-5-9(7(16)6(11(19)26-5)13-30(20,21)22)28-12-8(29-31(23,24)25)3(15)1-4(27-12)10(17)18/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25)/p-3/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1 | | Definition date: | 2004-08-03 | | Last modified: | 2020-07-17 | | Identifier: | (2R,3R,4S)-2-{[(2R,3S,4R,5R,6S)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfonatoamino)tetrahydro-2H-pyran-3-yl]oxy}-4-hydroxy-3-(sulfonatooxy)-3,4-dihydro-2H-pyran-6-carboxylate (non-preferred name) |
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 | | HSY | | Name: | alpha-L-xylopyranose | | Formula: | C5 H10 O5 | | SMILES: | OC1C(O)COC(O)C1O | | InChi: | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m0/s1 | | Synonyms: | alpha-L-xylose | | Definition date: | 2009-01-16 | | Last modified: | 2020-07-17 | | Identifier: | alpha-L-xylopyranose |
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 | | 289 | | Name: | D-glycero-alpha-D-manno-heptopyranose | | Formula: | C7 H14 O7 | | SMILES: | OC1C(O)C(OC(O)C1O)C(O)CO | | InChi: | InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5+,6-,7+/m1/s1 | | Synonyms: | D-glycero-alpha-D-manno-heptose | | Definition date: | 2007-11-09 | | Last modified: | 2020-07-17 | | Identifier: | D-glycero-alpha-D-manno-heptopyranose |
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 | | 293 | | Name: | 2-deoxy-beta-L-galacto-heptopyranose | | Formula: | C7 H14 O6 | | SMILES: | OC1C(OC(O)CC1O)C(O)CO | | InChi: | InChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4+,5+,6+,7-/m1/s1 | | Synonyms: | (2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol | | Definition date: | 2007-11-09 | | Last modified: | 2020-07-17 | | Identifier: | 2-deoxy-beta-L-galacto-heptopyranose |
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 | | IAB | | Name: | ISO-ACARBOSE | | Formula: | C25 H43 N O18 | | SMILES: | O(CC1OC(O)C(O)C(O)C1O)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO | | InChi: | InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(29)16(33)13(8)30)15(32)20(37)25(41-6)44-22-9(4-28)43-24(21(38)18(22)35)40-5-10-14(31)17(34)19(36)23(39)42-10/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24+,25-/m1/s1 | | Synonyms: | 4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-ALPHA-D-LYXO-HEXOPYRANOSYL-(1->4)-ALPHA-D-T
HREO-HEXOPYRANOSYL-(1->6)-ALPHA-L-THREO-HEXOPYRANOSE | | Definition date: | 2004-09-15 | | Last modified: | 2020-07-17 | | Identifier: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->6)-beta-D-glucopyranose |
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 | | IDC | | Name: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside | | Formula: | C14 H22 N2 O9 | | SMILES: | O(C2C(O)C(O)c1nccn1C2CO)C3OC(C(O)C(O)C3O)CO | | InChi: | InChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5-,6-,7-,8+,9-,10-,11-,12-,14+/m1/s1 | | Synonyms: | 5-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-6YL-7,8-DIOL-GLUCOPYRANOSIDE | | Definition date: | 1999-08-03 | | Last modified: | 2020-07-17 | | Identifier: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside |
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 | | IDF | | Name: | 5-fluoro-alpha-L-idopyranosyluronic acid fluoride | | Formula: | C6 H8 F2 O6 | | SMILES: | FC1OC(F)(C(=O)O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1 | | Synonyms: | 5-fluoro-alpha-L-idosyluronic acid fluoride | | Definition date: | 2013-05-07 | | Last modified: | 2020-07-17 | | Release date: | 2013-09-18 | | Identifier: | (2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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 | | IDR | | Name: | alpha-L-idopyranuronic acid | | Formula: | C6 H10 O7 | | SMILES: | O=C(O)C1OC(O)C(O)C(O)C1O | | InChi: | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m0/s1 | | Synonyms: | alpha-L-iduronic acid | | Definition date: | 2000-12-12 | | Last modified: | 2020-07-17 | | Identifier: | alpha-L-idopyranuronic acid |
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 | | ISL | | Name: | 6-O-alpha-D-glucopyranosyl-D-fructose | | Formula: | C12 H22 O11 | | SMILES: | O=C(CO)C(O)C(O)C(O)COC1OC(C(O)C(O)C1O)CO | | InChi: | InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9-,10+,11-,12+/m1/s1 | | Synonyms: | 6-O-alpha-D-glucosyl-D-fructose | | Definition date: | 2012-10-03 | | Last modified: | 2020-07-17 | | Release date: | 2013-09-25 | | Identifier: | 6-O-alpha-D-glucopyranosyl-D-fructose |
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 | | TUY | | Name: | (3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20,
21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) | | Formula: | C25 H40 N7 O21 P3 S | | SMILES: | O(P(=O)(O)OCC1C(OP(=O)(O)O)C(O)C(O1)n3cnc2c3ncnc2N)P(OCC(C(C(NCCC(=O)NCCSC(=O)C(C(C(O)=O)O)O)=O)O)(C)C)(O)=O | | InChi: | InChI=1S/C25H40N7O21P3S/c1-25(2,18(37)21(38)28-4-3-12(33)27-5-6-57-24(41)15(35)14(34)23(39)40)8-50-56(47,48)53-55(45,46)49-7-11-17(52-54(42,43)44)16(36)22(51-11)32-10-31-13-19(26)29-9-30-20(13)32/h9-11,14-18,22,34-37H,3-8H2,1-2H3,(H,27,33)(H,28,38)(H,39,40)(H,45,46)(H,47,48)(H2,26,29,30)(H2,42,43,44)/t11-,14-,15-,16-,17-,18+,22-/m1/s1 | | Synonyms: | Tartryl-CoA | | Definition date: | 2020-04-01 | | Last modified: | 2020-07-10 | | Release date: | 2020-07-15 | | Identifier: | (3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20,21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) |
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 | | L4E | | Name: | geranylgeranyl dihydroxybenzoate | | Formula: | C27 H38 O4 | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(O)=O | | InChi: | InChI=1S/C27H38O4/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-23-17-24(27(30)31)18-25(28)26(23)29/h9,11,13,15,17-18,28-29H,6-8,10,12,14,16H2,1-5H3,(H,30,31)/b20-11+,21-13+,22-15+ | | Definition date: | 2019-07-19 | | Last modified: | 2020-07-10 | | Release date: | 2020-07-15 | | Identifier: | 3,4-bis(oxidanyl)-5-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzoic acid |
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 | | MQH | | Name: | Bottromycin A2 | | Formula: | C42 H62 N8 O7 S | | SMILES: | COC(=O)C[CH](NC(=O)[CH](NC(=O)[CH](N=C1NCC(=O)N2CC[CH](C)[CH]2C(=O)N[CH](C(C)C)C(=O)N[CH]1C(C)(C)C)C(C)(C)C)[CH](C)c3ccccc3)c4sccn4 | | InChi: | InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)/t24-,25+,27-,30+,31+,32+,33-,34-/m1/s1 | | Definition date: | 2019-10-21 | | Last modified: | 2020-07-10 | | Release date: | 2020-07-15 | | Identifier: | methyl (3~{R})-3-[[(2~{S},3~{S})-2-[[(2~{S})-2-[(~{E})-[(6~{S},9~{S},12~{S},13~{R})-6-~{tert}-butyl-13-methyl-2,8,11-tris(oxidanylidene)-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-5-ylidene]amino]-3,3-dimethyl-butanoyl]amino]-3-phenyl-butanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate |
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