 | | 4B2 | | 表記: | (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine | | 組成式: | C15 H14 F2 N4 S | | SMILES: | Fc2c(c1cncnc1)cc(c(F)c2)C3(N=C(SCC3)N)C | | InChi: | InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1 | | 別名: | LY2811376 | | 定義日: | 2015-02-23 | | 最終更新日: | 2020-06-17 | | 公開日: | 2015-04-01 | | 識別子（ID）: | (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine |
|
 | | NMN | | 表記: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | | 組成式: | C11 H16 N2 O8 P | | SMILES: | O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)O)N | | InChi: | InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1 | | 別名: | NICOTINAMIDE MONONUCLEOTIDE | | 定義日: | 2001-01-24 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium |
|
 | | 4BG | | 表記: | N-[4-(benzyloxy)phenyl]glycinamide | | 組成式: | C15 H16 N2 O2 | | SMILES: | O=C(Nc2ccc(OCc1ccccc1)cc2)CN | | InChi: | InChI=1S/C15H16N2O2/c16-10-15(18)17-13-6-8-14(9-7-13)19-11-12-4-2-1-3-5-12/h1-9H,10-11,16H2,(H,17,18) | | 別名: | 2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide | | 定義日: | 2008-03-14 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[4-(benzyloxy)phenyl]glycinamide |
|
 | | NMY | | 表記: | NEOMYCIN | | 組成式: | C23 H46 N6 O13 | | SMILES: | O(C2C(OC1OC(CN)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO | | InChi: | InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 | | 別名: | MYCIFRADIN | | 定義日: | 2007-07-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside |
|
 | | NMZ | | 表記: | (2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy
}-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide | | 組成式: | C27 H52 F N7 O14 | | SMILES: | FC1C(O)C(N)C(OC1CN)OC4C(N)CC(NC(=O)C(O)CCN)C(O)C4OC3OC(C(OC2OC(CN)C(O)C(O)C2N)C3O)CO | | InChi: | InChI=1S/C27H52FN7O14/c28-13-10(4-30)44-25(14(33)18(13)40)47-21-7(32)3-8(35-24(43)9(37)1-2-29)16(38)23(21)49-27-20(42)22(12(6-36)46-27)48-26-15(34)19(41)17(39)11(5-31)45-26/h7-23,25-27,36-42H,1-6,29-34H2,(H,35,43)/t7-,8+,9-,10+,11-,12+,13-,14+,15+,16-,17+,18-,19+,20+,21+,22+,23+,25+,26+,27-/m0/s1 | | 別名: | 1-N-[(S)-4-Amino-2-hydroxybutanoyl]-4'-deoxy-4'-fluoro-4'-epineomycin | | 定義日: | 2014-05-16 | | 最終更新日: | 2020-06-17 | | 公開日: | 2015-01-07 | | 識別子（ID）: | (2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide |
|
 | | 4BT | | 表記: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | | 組成式: | C12 H18 N4 S2 | | SMILES: | S(C(=[N@H])N)CCc1ccc(cc1)CCSC(=[N@H])N | | InChi: | InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16) | | 別名: | S,S'-(1,4-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA | | 定義日: | 1999-09-23 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | benzene-1,4-diyldiethane-2,1-diyl bis(imidothiocarbamate) |
|
 | | NNR | | 表記: | Nicotinamide riboside | | 組成式: | C11 H15 N2 O5 | | SMILES: | O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1 | | 別名: | 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium | | 定義日: | 2007-08-06 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-carbamoyl-1-beta-D-ribofuranosylpyridinium |
|
 | | NOC | | 表記: | 3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-CYCLOPENTANE-1,2-DIOL | | 組成式: | C11 H15 N5 O3 | | SMILES: | n1c(c2ncn(c2nc1)C3CC(CO)C(O)C3O)N | | InChi: | InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6+,8-,9-/m0/s1 | | 別名: | NEPLANOCIN | | 定義日: | 2002-04-23 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1S,2S,3R,5S)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol |
|
 | | NOM | | 表記: | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE | | 組成式: | C16 H12 O6 | | SMILES: | O=C1C3=C(C(=O)c2c1cccc2O)C(OC4CC(=O)OC34)C | | InChi: | InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3/t6-,9-,16-/m0/s1 | | 別名: | NANAOMYCIN D | | 定義日: | 2002-12-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3aS,5S,11bR)-7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-2H-benzo[g]furo[3,2-c]isochromene-2,6,11-trione |
|
 | | 4D7 | | 表記: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine | | 組成式: | C16 H15 N3 O4 | | SMILES: | O=C(NC(C(=O)O)Cc2nc1ccccc1n2)c3c(occ3)C | | InChi: | InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1 | | 別名: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-furan-3-carbonyl)-amino]-propionic acid | | 定義日: | 2009-10-22 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-(1H-benzimidazol-2-yl)-N-[(2-methylfuran-3-yl)carbonyl]-D-alanine |
|
 | | 4D9 | | 表記: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine | | 組成式: | C19 H15 N3 O3 S | | SMILES: | O=C(O)C(NC(=O)c2sc1ccccc1c2)Cc4nc3ccccc3n4 | | InChi: | InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1 | | 別名: | (R)-2-[(Benzo[b]thiophene-2-carbonyl)-amino]-3-(1H-benzoimidazol-2-yl)-propionic acid | | 定義日: | 2009-10-22 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine |
|
 | | NOV | | 表記: | NOVOBIOCIN | | 組成式: | C31 H36 N2 O11 | | SMILES: | O=C(c1ccc(O)c(c1)CC=C(/C)C)NC3=C(O)c4ccc(OC2OC(C(OC)C(OC(=O)N)C2O)(C)C)c(c4OC3=O)C | | InChi: | InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | | 別名: | 4-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)benzamido]-8-methylcoumarin-7-yl
3-O-carbamoyl-5,5-di-C-methyl-alpha-l-lyxofuranoside | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide |
|
 | | 4DH | | 表記: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine | | 組成式: | C21 H19 N5 O3 | | SMILES: | O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4nc3ccccc3n4 | | InChi: | InChI=1S/C21H19N5O3/c1-26-18(11-16(25-26)13-7-3-2-4-8-13)20(27)24-17(21(28)29)12-19-22-14-9-5-6-10-15(14)23-19/h2-11,17H,12H2,1H3,(H,22,23)(H,24,27)(H,28,29)/t17-/m1/s1 | | 別名: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-5-phenyl-2H-pyrazole-3-carbonyl)-amino]-propionic acid | | 定義日: | 2009-10-23 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine |
|
 | | 4DX | | 表記: | (1S,2S)-2-methylcyclohexanol | | 組成式: | C7 H14 O | | SMILES: | OC1CCCCC1C | | InChi: | InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1 | | 別名: | trans-2-methylcyclohexanol | | 定義日: | 2009-10-27 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1S,2S)-2-methylcyclohexanol |
|
 | | NPI | | 表記: | (2S)-2-aminoheptanedioic acid | | 組成式: | C7 H13 N O4 | | SMILES: | O=C(O)C(N)CCCCC(=O)O | | InChi: | InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m0/s1 | | 別名: | L-2-AMINOPIMELIC ACID | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2S)-2-aminoheptanedioic acid |
|
 | | NPJ | | 表記: | 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE | | 組成式: | C18 H25 N O13 | | SMILES: | [O-][N+](=O)c3ccc(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)cc3 | | InChi: | InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17+,18-/m1/s1 | | 別名: | P-NITROPHENYL MALTOSIDE | | 定義日: | 2006-04-07 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-nitrophenyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside |
|
 | | NPR | | 表記: | 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE | | 組成式: | C9 H13 N5 O4 | | SMILES: | O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O)CO)N | | InChi: | InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1 | | 別名: | 7,8-DIHYDRONEOPTERIN | | 定義日: | 2003-12-19 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-amino-6-[(1S,2S)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(1H)-one |
|
 | | NPS | | 表記: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | | 組成式: | C14 H14 O3 | | SMILES: | O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C | | InChi: | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | | 別名: | NAPROXEN | | 定義日: | 2007-10-04 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
|
 | | NQ | | 表記: | 2-HYDROXYNAPHTHOQUINONE | | 組成式: | C10 H6 O3 | | SMILES: | O=C2c1c(cccc1)C(=O)C(O)=C2 | | InChi: | InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H | | 別名: | 2-HYDROXY-1,4-NAPHTHOQUINONE | | 定義日: | 2005-08-03 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-hydroxynaphthalene-1,4-dione |
|
 | | 9OD | | 表記: | (2Z)-9-oxodec-2-enoic acid | | 組成式: | C10 H16 O3 | | SMILES: | O=C(C)CCCCC/C=CC(=O)O | | InChi: | InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6- | | 別名: | 9-keto-2(E)-decenoic acid | | 定義日: | 2007-11-27 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2Z)-9-oxodec-2-enoic acid |
|
 | | NSE | | 表記: | 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile | | 組成式: | C14 H8 N4 O | | SMILES: | N#Cc3cccc(c1nc(no1)c2cnccc2)c3 | | InChi: | InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H | | 別名: | NS9283 | | 定義日: | 2013-12-26 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-07-08 | | 識別子（ID）: | 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
|
 | | NSS | | 表記: | 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE | | 組成式: | C14 H21 N8 O8 S | | SMILES: | O=C(N)CC(C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)[NH3+] | | InChi: | InChI=1S/C14H20N8O8S/c15-5(1-7(16)23)13(26)21-31(27,28)29-2-6-9(24)10(25)14(30-6)22-4-20-8-11(17)18-3-19-12(8)22/h3-6,9-10,14,24-25H,1-2,15H2,(H2,16,23)(H,21,26)(H2,17,18,19)/p+1/t5-,6+,9+,10+,14+/m0/s1 | | 別名: | ASN-SA | | 定義日: | 2005-05-25 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 5'-O-{[(2S)-4-amino-2-ammonio-4-oxobutanoyl]sulfamoyl}adenosine |
|
 | | RWJ | | 表記: | CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE | | 組成式: | C19 H25 N5 O2 S | | SMILES: | O=C(NC(C(=O)c1nc2ccccc2s1)CCCNC(=[N@H])N)C3CCCC3 | | InChi: | InChI=1S/C19H25N5O2S/c20-19(21)22-11-5-9-14(23-17(26)12-6-1-2-7-12)16(25)18-24-13-8-3-4-10-15(13)27-18/h3-4,8,10,12,14H,1-2,5-7,9,11H2,(H,23,26)(H4,20,21,22)/t14-/m0/s1 | | 別名: | RWJ-51084 | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-[(1S)-1-(1,3-benzothiazol-2-ylcarbonyl)-4-carbamimidamidobutyl]cyclopentanecarboxamide |
|
 | | RX3 | | 表記: | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT
OPHAN | | 組成式: | C33 H36 N3 O7 P | | SMILES: | O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)C5CCCC5C(=O)NC(C(=O)O)Cc4c3ccccc3nc4 | | InChi: | InChI=1S/C33H36N3O7P/c37-31(35-28(32(38)39)19-24-20-34-27-16-8-7-14-25(24)27)26-15-9-17-29(26)44(41,42)30(18-22-10-3-1-4-11-22)36-33(40)43-21-23-12-5-2-6-13-23/h1-8,10-14,16,20,26,28-30,34H,9,15,17-19,21H2,(H,35,37)(H,36,40)(H,38,39)(H,41,42)/t26-,28+,29-,30-/m1/s1 | | 別名: | RXPA380 | | 定義日: | 2007-01-04 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-({(1S,2R)-2-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]cyclopentyl}carbonyl)-L-tryptophan |
|
 | | RX5 | | 表記: | methyl
(2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]
methoxy}ethyl)carbamate | | 組成式: | C26 H41 Cl N4 O5 | | SMILES: | Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NCC(NC)CC2CCCOC2)C3 | | InChi: | InChI=1S/C26H41ClN4O5/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32)/t19-,21-,23+,24+/m1/s1 | | 別名: | VTP-27999 | | 定義日: | 2011-02-14 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate |
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