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N9P
N9P
表記:3-pyridin-4-yl-L-alanine
組成式:C8 H10 N2 O2
SMILES:NC(C(=O)O)Cc1ccncc1
InChi:InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
定義日:2019-05-09
最終更新日:2024-09-27
公開日:2020-04-29
識別子（ID）:3-pyridin-4-yl-L-alanine
9TJ
9TJ
表記:3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
組成式:C17 H17 B N4 O5 S
SMILES:C(B(O)O)(Cn2cc(c1cccc(c1)C(O)=O)nn2)NC(=O)Cc3sccc3
InChi:InChI=1S/C17H17BN4O5S/c23-16(8-13-5-2-6-28-13)19-15(18(26)27)10-22-9-14(20-21-22)11-3-1-4-12(7-11)17(24)25/h1-7,9,15,26-27H,8,10H2,(H,19,23)(H,24,25)/t15-/m0/s1
別名:boronic acid transition state inhibitor S03043
定義日:2017-06-07
最終更新日:2024-09-27
公開日:2017-11-29
識別子（ID）:3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid
N9R
N9R
表記:~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
組成式:C16 H14 N4 O
SMILES:Cn1cc(c2cc(NC(=O)C=C)ncn2)c3ccccc13
InChi:InChI=1S/C16H14N4O/c1-3-16(21)19-15-8-13(17-10-18-15)12-9-20(2)14-7-5-4-6-11(12)14/h3-10H,1H2,2H3,(H,17,18,19,21)
定義日:2023-01-11
最終更新日:2024-09-27
公開日:2023-12-13
識別子（ID）:~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
N9X
N9X
表記:Ertapenem
組成式:C22 H27 N3 O7 S
SMILES:C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3ccc(cc3)C(O)=O)[CH]1C)C(O)=O
InChi:InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-12(4-6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16-,17-,19-/m1/s1
別名:(3~{R},4~{R},5~{S})-3-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxylic acid
定義日:2022-08-16
最終更新日:2024-09-27
公開日:2023-03-08
識別子（ID）:(2~{S},3~{R},4~{R})-4-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
NA3
NA3
表記:(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID
組成式:C10 H9 Br N2 O4
SMILES:O=C(c1cncc(Br)c1)NC(C=O)CC(=O)O
InChi:InChI=1S/C10H9BrN2O4/c11-7-1-6(3-12-4-7)10(17)13-8(5-14)2-9(15)16/h1,3-5,8H,2H2,(H,13,17)(H,15,16)/t8-/m0/s1
定義日:2003-11-07
最終更新日:2024-09-27
識別子（ID）:(3S)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid
NA4
NA4
表記:4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID
組成式:C17 H14 N2 O6
SMILES:O=C(O)CC(C=O)NC(=O)c2cncc(c1ccc(C(=O)O)cc1)c2
InChi:InChI=1S/C17H14N2O6/c20-9-14(6-15(21)22)19-16(23)13-5-12(7-18-8-13)10-1-3-11(4-2-10)17(24)25/h1-5,7-9,14H,6H2,(H,19,23)(H,21,22)(H,24,25)/t14-/m0/s1
定義日:2003-11-19
最終更新日:2024-09-27
識別子（ID）:4-(5-{[(1S)-2-carboxy-1-formylethyl]carbamoyl}pyridin-3-yl)benzoic acid
NA7
NA7
表記:[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
組成式:C15 H24 N5 O16 P3
SMILES:O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(OP(=O)(O)O)C4O
InChi:InChI=1S/C15H24N5O16P3/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(35-37(24,25)26)11(23)8(34-15)3-33-39(29,30)36-38(27,28)32-2-7-10(22)6(21)1-31-7/h4-8,10-12,15,21-23H,1-3H2,(H,27,28)(H,29,30)(H2,16,17,18)(H2,24,25,26)/t6-,7+,8+,10-,11+,12+,15+/m0/s1
定義日:2006-11-15
最終更新日:2024-09-27
識別子（ID）:[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
NA8
NA8
表記:(1S)-1-CARBOXY-2-NAPHTHALEN-2-YLETHANAMINIUM
組成式:C13 H14 N O2
SMILES:O=C(O)C([NH3+])Cc2ccc1c(cccc1)c2
InChi:InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/p+1/t12-/m0/s1
定義日:2009-10-22
最終更新日:2024-09-27
識別子（ID）:(1S)-1-carboxy-2-naphthalen-2-ylethanaminium
NAD
NAD
表記:NICOTINAMIDE-ADENINE-DINUCLEOTIDE
組成式:C21 H27 N7 O14 P2
SMILES:NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
9U8
9U8
表記:ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate
組成式:C34 H42 N4 O7 S
SMILES:CCOC(=O)C1CCN(CC1)C(=O)N[CH](Cc2ccc(O)cc2)C(=O)N[CH](CCc3ccccc3)CC[S](=O)(=O)c4ccccn4
InChi:InChI=1S/C34H42N4O7S/c1-2-45-33(41)27-17-21-38(22-18-27)34(42)37-30(24-26-12-15-29(39)16-13-26)32(40)36-28(14-11-25-8-4-3-5-9-25)19-23-46(43,44)31-10-6-7-20-35-31/h3-10,12-13,15-16,20,27-28,30,39H,2,11,14,17-19,21-24H2,1H3,(H,36,40)(H,37,42)/t28-,30-/m0/s1
定義日:2017-07-13
最終更新日:2024-09-27
公開日:2018-11-21
識別子（ID）:ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate
NAF
NAF
表記:M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
組成式:C11 H15 F3 N O2
SMILES:FC(F)(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C
InChi:InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N,N,N-trimethyl-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)anilinium
NAG
NAG
表記:2-acetamido-2-deoxy-beta-D-glucopyranose
組成式:C8 H15 N O6
SMILES:O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
別名:N-acetyl-beta-D-glucosamine
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:2-(acetylamino)-2-deoxy-beta-D-glucopyranose
NAI
NAI
表記:1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
組成式:C21 H29 N7 O14 P2
SMILES:NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
別名:NADH
定義日:1999-12-13
最終更新日:2024-09-27
識別子（ID）:[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
NAK
NAK
表記:AMINO-ACRYLATE
組成式:C3 H5 N O2
SMILES:[O-]C(=O)C(=[NH2+])C
InChi:InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)
別名:2-IMINIOPROPANOATE
定義日:2004-08-30
最終更新日:2024-09-27
識別子（ID）:2-iminiopropanoate
NAL
NAL
表記:BETA-(2-NAPHTHYL)-ALANINE
組成式:C13 H13 N O2
SMILES:O=C(O)C(N)Cc2ccc1c(cccc1)c2
InChi:InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)
NAU
NAU
表記:4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACID
組成式:C11 H21 N O9
SMILES:O=C(NC(C(O)(O)CCC(=O)O)C(O)C(O)C(O)CO)C
InChi:InChI=1S/C11H21NO9/c1-5(14)12-10(9(19)8(18)6(15)4-13)11(20,21)3-2-7(16)17/h6,8-10,13,15,18-21H,2-4H2,1H3,(H,12,14)(H,16,17)/t6-,8-,9+,10+/m1/s1
定義日:2000-07-14
最終更新日:2024-09-27
識別子（ID）:(5S,6R,7S,8R)-5-(acetylamino)-4,4,6,7,8,9-hexahydroxynonanoic acid (non-preferred name)
NAV
NAV
表記:6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-4-OXONONANOIC ACID
組成式:C11 H19 N O8
SMILES:O=C(O)CCC(=O)C(NC(=O)C)C(O)C(O)C(O)CO
InChi:InChI=1S/C11H19NO8/c1-5(14)12-9(6(15)2-3-8(17)18)11(20)10(19)7(16)4-13/h7,9-11,13,16,19-20H,2-4H2,1H3,(H,12,14)(H,17,18)/t7-,9-,10-,11-/m1/s1
定義日:2000-07-17
最終更新日:2024-09-27
識別子（ID）:5-(acetylamino)-2,3,5-trideoxy-D-manno-non-4-ulosonic acid
NB2
NB2
表記:(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
組成式:C33 H56 N6 O6 S
SMILES:CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C
InChi:InChI=1S/C33H56N6O6S/c1-30(2,3)25(37-29(43)38-33(13-10-9-11-14-33)19-46(44,45)31(4,5)6)28(42)39-18-22-23(32(22,7)8)24(39)27(41)36-21(17-34)16-20-12-15-35-26(20)40/h17,20-25,34H,9-16,18-19H2,1-8H3,(H,35,40)(H,36,41)(H2,37,38,43)/b34-17-/t20-,21-,22-,23-,24-,25+/m0/s1
定義日:2022-01-10
最終更新日:2024-09-27
公開日:2022-03-02
識別子（ID）:(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
NB3
NB3
表記:~{N}-[(1-methylindazol-3-yl)methyl]propanamide
組成式:C12 H15 N3 O
SMILES:CCC(=O)NCc1nn(C)c2ccccc12
InChi:InChI=1S/C12H15N3O/c1-3-12(16)13-8-10-9-6-4-5-7-11(9)15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,16)
別名:N-[(1-methylindazol-3-yl)methyl]prop-2-enamide (precursor)
定義日:2022-08-16
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-[(1-methylindazol-3-yl)methyl]propanamide
NBF
NBF
表記:[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID
組成式:C14 H16 B N O4
SMILES:O=C(c1c2c(ccc1OCC)cccc2)NCB(O)O
InChi:InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17)
定義日:2003-02-24
最終更新日:2024-09-27
識別子（ID）:({[(2-ethoxynaphthalen-1-yl)carbonyl]amino}methyl)boronic acid
NBG
NBG
表記:N-acetyl-beta-D-glucopyranosylamine
組成式:C8 H15 N O6
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)C
InChi:InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
別名:1-N-ACETYL-BETA-D-GLUCOSAMINE
定義日:1999-07-08
最終更新日:2024-09-27
識別子（ID）:N-acetyl-beta-D-glucopyranosylamine
NBL
NBL
表記:N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
組成式:C19 H26 N4 O3
SMILES:N#CN2CCC(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C2
InChi:InChI=1S/C19H26N4O3/c1-14(2)10-17(18(24)21-16-8-9-23(11-16)13-20)22-19(25)26-12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m1/s1
定義日:2005-01-31
最終更新日:2024-09-27
識別子（ID）:N~2~-[(benzyloxy)carbonyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-L-leucinamide
NBQ
NBQ
表記:2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
組成式:C23 H22 N2 O6
SMILES:O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3
InChi:InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1
定義日:2004-03-08
最終更新日:2024-09-27
識別子（ID）:2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine
NBU
NBU
表記:N-BUTANE
組成式:C4 H10
SMILES:CCCC
InChi:InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
定義日:1999-10-10
最終更新日:2024-09-27
識別子（ID）:butane
NC1
NC1
表記:NITROCEFIN ACYL-SERINE
組成式:C24 H21 N5 O11 S2
SMILES:[O-]C(=O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C([O-])=O)C=Cc3ccc([N+]([O-])=O)cc3[N+]([O-])=O
InChi:InChI=1S/C24H23N5O11S2/c25-16(22(31)32)10-40-24(35)20(26-18(30)9-15-2-1-7-41-15)21-27-19(23(33)34)13(11-42-21)4-3-12-5-6-14(28(36)37)8-17(12)29(38)39/h1-8,16,20-21,27H,9-11,25H2,(H,26,30)(H,31,32)(H,33,34)/p-2/b4-3+/t16-,20-,21+/m0/s1
定義日:2002-10-08
最終更新日:2024-09-27
識別子（ID）:(2R)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylate

238582

件を2025-07-09に公開中

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