 | | W5V | | Name: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide | | Formula: | C19 H16 F2 N4 O4 | | SMILES: | C2(=C(C(=O)N=C(c1c(F)cccc1F)N2)O)C(=O)NCCc3cc(OC)ncc3 | | InChi: | InChI=1S/C19H16F2N4O4/c1-29-13-9-10(5-7-22-13)6-8-23-18(27)15-16(26)19(28)25-17(24-15)14-11(20)3-2-4-12(14)21/h2-5,7,9,26H,6,8H2,1H3,(H,23,27)(H,24,25,28) | | Definition date: | 2020-09-29 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide |
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 | | W9G | | Name: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol | | Formula: | C17 H35 N O6 | | SMILES: | N(C1CC(C(C(C1O)O)O)(O)CO)CCCCCCCCCOC | | InChi: | InChI=1S/C17H35NO6/c1-24-10-8-6-4-2-3-5-7-9-18-13-11-17(23,12-19)16(22)15(21)14(13)20/h13-16,18-23H,2-12H2,1H3/t13-,14-,15+,16-,17-/m0/s1 | | Definition date: | 2020-10-02 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol |
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 | | W9P | | Name: | (1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol | | Formula: | C20 H31 N7 O7 | | SMILES: | N(C1C(O)C(C(C(C1)(CO)O)O)O)CCCCCCNc2ccc(cc2[N+](=O)[O-])n3cnnn3 | | InChi: | InChI=1S/C20H31N7O7/c28-11-20(32)10-15(17(29)18(30)19(20)31)22-8-4-2-1-3-7-21-14-6-5-13(9-16(14)27(33)34)26-12-23-24-25-26/h5-6,9,12,15,17-19,21-22,28-32H,1-4,7-8,10-11H2/t15-,17-,18+,19-,20-/m0/s1 | | Definition date: | 2020-10-04 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-tetrazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol |
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 | | W9S | | Name: | (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | | Formula: | C7 H15 N O5 | | SMILES: | NC1C(C(C(C(CO)(C1)O)O)O)O | | InChi: | InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1 | | Definition date: | 2020-10-04 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
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 | | V3V | | Name: | 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid | | Formula: | C25 H18 Cl F N6 O4 | | SMILES: | O=C(O)c5ccnc(NC(C3=C(NC(Nc2nc1c(cc(F)cc1)o2)=NC3c4ccccc4Cl)C)=O)c5 | | InChi: | InChI=1S/C25H18ClFN6O4/c1-12-20(22(34)31-19-10-13(23(35)36)8-9-28-19)21(15-4-2-3-5-16(15)26)32-24(29-12)33-25-30-17-7-6-14(27)11-18(17)37-25/h2-11,21H,1H3,(H,35,36)(H,28,31,34)(H2,29,30,32,33)/t21-/m0/s1 | | Definition date: | 2020-06-22 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid |
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 | | XFG | | Name: | 3-[(2~{S},3~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boron | | Formula: | C8 H18 B N2 O5 | | SMILES: | N1CC(C(C1C(O)=O)CCC[B-](O)(O)O)N | | InChi: | InChI=1S/C8H18BN2O5/c10-6-4-11-7(8(12)13)5(6)2-1-3-9(14,15)16/h5-7,11,14-16H,1-4,10H2,(H,12,13)/q-1/t5-,6+,7+/m1/s1 | | Definition date: | 2020-12-16 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | {3-[(2S,3R,4R)-4-amino-2-carboxypyrrolidin-3-yl]propyl}(trihydroxy)borate(1-) |
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 | | L0A | | Name: | Digitonin | | Formula: | C56 H92 O29 | | SMILES: | CC%11CCC1(C(C2C(O1)C(C3C4C(CCC23C)C5(C(CC4)CC(C(C5)O)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)OC%10C(C(C(C(O%10)CO)O)O)O)O)O)O)C)O)C)OC%11 | | InChi: | InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,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-,49+,50-,51+,52-,53-,54+,55+,56+/m1/s1 | | Synonyms: | (2S,3S,4aR,5'R,6aR,8S,8aS,10S,11S,11aS,12R,14aS,14bS)-2,8-dihydroxy-5',11,12,14b-tetramethyloctadecahydrospiro[naphtho[1',2':6,7]cyclonona[1,2-b]furan-10,2'-oxan]-3-yl beta-D-idopyranosyl-(1-> | | Definition date: | 2019-01-29 | | Last modified: | 2021-09-23 | | Release date: | 2019-02-20 | | Identifier: | (2alpha,3beta,5alpha,8alpha,10alpha,13alpha,15beta,16beta,20R,22S,25R)-2,15-dihydroxyspirostan-3-yl beta-D-idopyranosyl-(1->3)-beta-L-glucopyranosyl-(1->2)-[beta-D-ribopyranosyl-(1->3)]-beta-L-idopyranosyl-(1->4)-beta-D-galactopyranoside |
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 | | YHD | | Name: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide | | Formula: | C20 H25 B N2 O3 | | SMILES: | O=C(NC(Cc1ccc(cc1)c1ccccc1)B(O)O)C1CCCN1C | | InChi: | InChI=1S/C20H25BN2O3/c1-23-13-5-8-18(23)20(24)22-19(21(25)26)14-15-9-11-17(12-10-15)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,25-26H,5,8,13-14H2,1H3,(H,22,24)/t18-,19-/m0/s1 | | Definition date: | 2021-03-08 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide |
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 | | YHV | | Name: | 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide | | Formula: | C22 H31 F N4 O3 S | | SMILES: | Fc1ccc(C)c2[NH]c(cc12)C(=O)NC1CCCC(C1)N1CCC(C1)N(C)S(C)(=O)=O | | InChi: | InChI=1S/C22H31FN4O3S/c1-14-7-8-19(23)18-12-20(25-21(14)18)22(28)24-15-5-4-6-16(11-15)27-10-9-17(13-27)26(2)31(3,29)30/h7-8,12,15-17,25H,4-6,9-11,13H2,1-3H3,(H,24,28)/t15-,16+,17+/m1/s1 | | Definition date: | 2021-03-10 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide |
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 | | YHY | | Name: | N-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1H-indole-2-carboxamide | | Formula: | C23 H27 F N4 O | | SMILES: | Fc1ccc(C)c2[NH]c(cc12)C(=O)Nc1cc(ccc1)N1CCC(CC1)N(C)C | | InChi: | InChI=1S/C23H27FN4O/c1-15-7-8-20(24)19-14-21(26-22(15)19)23(29)25-16-5-4-6-18(13-16)28-11-9-17(10-12-28)27(2)3/h4-8,13-14,17,26H,9-12H2,1-3H3,(H,25,29) | | Definition date: | 2021-03-10 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1H-indole-2-carboxamide |
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 | | ZLJ | | Name: | 2-chloroethane-1-sulfonic acid | | Formula: | C2 H5 Cl O3 S | | SMILES: | ClCCS(=O)(=O)O | | InChi: | InChI=1S/C2H5ClO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6) | | Definition date: | 2021-05-05 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 2-chloroethane-1-sulfonic acid |
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 | | ZLY | | Name: | (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid | | Formula: | C38 H44 N4 O6 | | SMILES: | O=C(O)Cc1ccc(cc1)C1CC(=O)NC2(CCCCC2)C(=O)NC(CC(N)=O)C(=O)NCC(Cc2cccc3ccccc32)CC=C1 | | InChi: | InChI=1S/C38H44N4O6/c39-33(43)23-32-36(47)40-24-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)21-35(45)46)22-34(44)42-38(37(48)41-32)18-4-1-5-19-38/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,39,43)(H,40,47)(H,41,48)(H,42,44)(H,45,46)/b11-6+/t26-,29-,32-/m0/s1 | | Definition date: | 2021-05-06 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid |
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 | | XJ7 | | Name: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate | | Formula: | C26 H49 O13 P | | SMILES: | CCCC(=O)OCC(COP(OC1C(C(C(C(O)C1O)O)O)O)(O)=O)OC(CCCCCCCCCCCC)=O | | InChi: | InChI=1S/C26H49O13P/c1-3-5-6-7-8-9-10-11-12-13-15-20(28)38-18(16-36-19(27)14-4-2)17-37-40(34,35)39-26-24(32)22(30)21(29)23(31)25(26)33/h18,21-26,29-33H,3-17H2,1-2H3,(H,34,35)/t18-,21-,22+,23-,24-,25+,26+/m0/s1 | | Definition date: | 2020-12-17 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1r,2R,3S,4S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate |
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 | | XJA | | Name: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate | | Formula: | C26 H49 O13 P | | SMILES: | CCCC(OCC(COP(OC1C(C(C(O)C(C1O)O)O)O)(O)=O)OC(=O)CCCCCCCCCCCC)=O | | InChi: | InChI=1S/C26H49O13P/c1-3-5-6-7-8-9-10-11-12-13-15-20(28)38-18(16-36-19(27)14-4-2)17-37-40(34,35)39-26-24(32)22(30)21(29)23(31)25(26)33/h18,21-26,29-33H,3-17H2,1-2H3,(H,34,35)/t18-,21-,22+,23+,24+,25-,26+/m0/s1 | | Definition date: | 2020-12-17 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (2S)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propan-2-yl tridecanoate |
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 | | XJD | | Name: | (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate | | Formula: | C25 H50 N O8 P | | SMILES: | C(OP(OCC(COC(=O)CCCCCC)OC(CCCCCCCCCCCC)=O)(=O)O)CN | | InChi: | InChI=1S/C25H50NO8P/c1-3-5-7-9-10-11-12-13-14-16-18-25(28)34-23(22-33-35(29,30)32-20-19-26)21-31-24(27)17-15-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/t23-/m1/s1 | | Definition date: | 2020-12-17 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (10R,13S)-16-amino-13-hydroxy-7,13-dioxo-8,12,14-trioxa-13lambda~5~-phosphahexadecan-10-yl tridecanoate |
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 | | YJ1 | | Name: | N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide | | Formula: | C19 H26 N4 O2 | | SMILES: | NCCC(=O)NC1CCC(CC1)NC(=O)c1cc2cccc(C)c2[NH]1 | | InChi: | InChI=1S/C19H26N4O2/c1-12-3-2-4-13-11-16(23-18(12)13)19(25)22-15-7-5-14(6-8-15)21-17(24)9-10-20/h2-4,11,14-15,23H,5-10,20H2,1H3,(H,21,24)(H,22,25)/t14-,15- | | Definition date: | 2021-03-10 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide |
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 | | YJ4 | | Name: | 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C18 H18 N6 O2 | | SMILES: | CCNc1nc2cccnc2c(n1)N1CC(=O)Nc2cc(ccc21)OC | | InChi: | InChI=1S/C18H18N6O2/c1-3-19-18-22-12-5-4-8-20-16(12)17(23-18)24-10-15(25)21-13-9-11(26-2)6-7-14(13)24/h4-9H,3,10H2,1-2H3,(H,21,25)(H,19,22,23) | | Definition date: | 2021-03-10 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
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 | | YJ7 | | Name: | 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C16 H15 N5 O3 | | SMILES: | COc1cc2NC(=O)CN(c3nc(C)nc4onc(C)c34)c2cc1 | | InChi: | InChI=1S/C16H15N5O3/c1-8-14-15(17-9(2)18-16(14)24-20-8)21-7-13(22)19-11-6-10(23-3)4-5-12(11)21/h4-6H,7H2,1-3H3,(H,19,22) | | Definition date: | 2021-03-10 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
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 | | XKP | | Name: | (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate | | Formula: | C23 H46 N O8 P | | SMILES: | C(CCCCCCCCC)(=O)OC(COC(=O)CCCCCCC)COP(O)(=O)OCCN | | InChi: | InChI=1S/C23H46NO8P/c1-3-5-7-9-10-12-14-16-23(26)32-21(20-31-33(27,28)30-18-17-24)19-29-22(25)15-13-11-8-6-4-2/h21H,3-20,24H2,1-2H3,(H,27,28)/t21-/m1/s1 | | Definition date: | 2020-12-18 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate |
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 | | Y5J | | Name: | 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C15 H11 Cl N4 O3 | | SMILES: | c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)occ4 | | InChi: | InChI=1S/C15H11ClN4O3/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21) | | Definition date: | 2020-05-20 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
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 | | Y5L | | Name: | 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C16 H15 Cl N4 O2 | | SMILES: | c1(Cl)nc4c(c(n1)N3c2ccc(cc2NC(=O)C3)OC)CCC4 | | InChi: | InChI=1S/C16H15ClN4O2/c1-23-9-5-6-13-12(7-9)18-14(22)8-21(13)15-10-3-2-4-11(10)19-16(17)20-15/h5-7H,2-4,8H2,1H3,(H,18,22) | | Definition date: | 2020-05-20 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
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 | | Y5M | | Name: | 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one | | Formula: | C17 H18 N4 O2 | | SMILES: | Cc1nc4c(c(n1)N3c2ccc(cc2NC(C3)=O)OC)CCC4 | | InChi: | InChI=1S/C17H18N4O2/c1-10-18-13-5-3-4-12(13)17(19-10)21-9-16(22)20-14-8-11(23-2)6-7-15(14)21/h6-8H,3-5,9H2,1-2H3,(H,20,22) | | Definition date: | 2020-05-20 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one |
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 | | XPJ | | Name: | 1-deoxy-1-(methylamino)-D-allitol | | Formula: | C7 H17 N O5 | | SMILES: | C(C(O)CO)(C(C(CNC)O)O)O | | InChi: | InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6-,7+/m0/s1 | | Synonyms: | N-Methyl-D-glucamine | | Definition date: | 2020-12-23 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 1-deoxy-1-(methylamino)-D-allitol |
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 | | XPS | | Name: | 6-deoxy-6-(methylamino)-D-galactitol | | Formula: | C7 H17 N O5 | | SMILES: | C(C(O)CO)(C(C(O)CNC)O)O | | InChi: | InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7-/m1/s1 | | Definition date: | 2020-12-23 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 6-deoxy-6-(methylamino)-D-galactitol |
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 | | YS7 | | Name: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside | | Formula: | C27 H49 N6 O12 P | | SMILES: | O=P(O)(O)OCc1cnc(C)c(O)c1CNCC1CCC(N)C(O1)OC1C(O)C(OC2OCC(C)(O)C(NC)C2O)C(N)CC1N | | InChi: | InChI=1S/C27H49N6O12P/c1-12-19(34)15(13(7-33-12)10-42-46(38,39)40)9-32-8-14-4-5-16(28)25(43-14)44-22-17(29)6-18(30)23(20(22)35)45-26-21(36)24(31-3)27(2,37)11-41-26/h7,14,16-18,20-26,31-32,34-37H,4-6,8-11,28-30H2,1-3H3,(H2,38,39,40)/t14-,16+,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m0/s1 | | Definition date: | 2021-03-30 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside |
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