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33L
33L
表記:N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
組成式:C18 H21 N3 O2
SMILES:O=C(NCCN)C(NC(=O)c1ccccc1)Cc2ccccc2
InChi:InChI=1S/C18H21N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,23)(H,21,22)/t16-/m0/s1
別名:Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form
定義日:2014-06-10
最終更新日:2024-09-27
公開日:2015-08-05
識別子（ID）:N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
33S
33S
表記:3-iodo-L-phenylalanine
組成式:C9 H10 I N O2
SMILES:Ic1cc(ccc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2014-06-13
最終更新日:2024-09-27
公開日:2014-11-12
識別子（ID）:3-iodo-L-phenylalanine
N1L
N1L
表記:2-amino-2-deoxy-beta-D-glucopyranuronic acid
組成式:C6 H11 N O6
SMILES:O=C(O)C1OC(O)C(N)C(O)C1O
InChi:InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1
別名:2-amino-2-deoxy-beta-D-glucuronic acid
定義日:2008-03-11
最終更新日:2024-09-27
識別子（ID）:2-amino-2-deoxy-beta-D-glucopyranuronic acid
33X
33X
表記:N-methyl-D-alanine
組成式:C4 H9 N O2
SMILES:O=C(O)C(NC)C
InChi:InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1
定義日:2014-06-16
最終更新日:2024-09-27
公開日:2014-11-12
識別子（ID）:N-methyl-D-alanine
N1R
N1R
表記:2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide
組成式:C20 H28 Cl2 N2 O3
SMILES:CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCCNC(=O)CCl)CC2
InChi:InChI=1S/C20H28Cl2N2O3/c1-20(2,27-17-7-5-16(22)6-8-17)19(26)24-12-9-15(10-13-24)4-3-11-23-18(25)14-21/h5-8,15H,3-4,9-14H2,1-2H3,(H,23,25)
定義日:2022-08-11
最終更新日:2024-09-27
公開日:2023-09-20
識別子（ID）:2-chloranyl-~{N}-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide
N1U
N1U
表記:(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one
組成式:C18 H18 Br N O4
SMILES:COc1ccc(cc1OC)CN1c2c(C)cc(Br)cc2C(O)C1=O
InChi:InChI=1S/C18H18BrNO4/c1-10-6-12(19)8-13-16(10)20(18(22)17(13)21)9-11-4-5-14(23-2)15(7-11)24-3/h4-8,17,21H,9H2,1-3H3/t17-/m0/s1
定義日:2023-08-16
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one
N1W
N1W
表記:(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
組成式:C30 H41 N7 O7
SMILES:CC(C)[CH](NC(=O)[CH](NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH](CO)Cc3ccccc3
InChi:InChI=1S/C30H41N7O7/c1-17(2)24(26(40)33-20(16-38)14-18-6-4-3-5-7-18)36-27(41)25(22-12-13-32-29(31)34-22)37-30(44)35-23(28(42)43)15-19-8-10-21(39)11-9-19/h3-11,17,20,22-25,38-39H,12-16H2,1-2H3,(H,33,40)(H,36,41)(H,42,43)(H3,31,32,34)(H2,35,37,44)/t20-,22-,23+,24-,25-/m0/s1
定義日:2019-11-06
最終更新日:2024-09-27
公開日:2019-12-04
識別子（ID）:(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
N1X
N1X
表記:(2S)-2-(5-methylfuran-2-yl)oxane
組成式:C10 H14 O2
SMILES:Cc1oc(cc1)C1CCCCO1
InChi:InChI=1S/C10H14O2/c1-8-5-6-10(12-8)9-4-2-3-7-11-9/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1
定義日:2022-03-23
最終更新日:2024-09-27
公開日:2022-03-30
識別子（ID）:(2S)-2-(5-methylfuran-2-yl)oxane
34E
34E
表記:(3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine
組成式:C13 H27 N3 O3
SMILES:O=C(O)C(NC)C(C)CN1CCN(CCOC)CC1
InChi:InChI=1S/C13H27N3O3/c1-11(12(14-2)13(17)18)10-16-6-4-15(5-7-16)8-9-19-3/h11-12,14H,4-10H2,1-3H3,(H,17,18)/t11-,12+/m1/s1
定義日:2014-06-16
最終更新日:2024-09-27
公開日:2014-11-12
識別子（ID）:(3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine
34H
34H
表記:(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID
組成式:C9 H10 O4
SMILES:O=C(O)C(O)Cc1ccc(O)cc1
InChi:InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1
定義日:2010-07-21
最終更新日:2024-09-27
識別子（ID）:(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
N29
N29
表記:~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide
組成式:C7 H10 N2 O2
SMILES:CCC(=O)Nc1cc(C)on1
InChi:InChI=1S/C7H10N2O2/c1-3-7(10)8-6-4-5(2)11-9-6/h4H,3H2,1-2H3,(H,8,9,10)
定義日:2022-08-11
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide
N2C
N2C
表記:N,S-DIMETHYLCYSTEINE
組成式:C5 H11 N O2 S
SMILES:O=C(O)C(NC)CSC
InChi:InChI=1S/C5H11NO2S/c1-6-4(3-9-2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
定義日:2004-11-02
最終更新日:2024-09-27
識別子（ID）:N,S-dimethyl-L-cysteine
N2F
N2F
表記:2-[(4-methylphenyl)sulfonyl]-5-nitrofuran
組成式:C11 H9 N O5 S
SMILES:O=[N+]([O-])c1oc(cc1)S(=O)(=O)c2ccc(cc2)C
InChi:InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3
別名:NSC697923
定義日:2014-02-07
最終更新日:2024-09-27
公開日:2015-05-06
識別子（ID）:2-[(4-methylphenyl)sulfonyl]-5-nitrofuran
N2H
N2H
表記:(4-azanylbutylamino)methanediol
組成式:C5 H14 N2 O2
SMILES:NCCCCNC(O)O
InChi:InChI=1S/C5H14N2O2/c6-3-1-2-4-7-5(8)9/h5,7-9H,1-4,6H2
別名:N-(dihydroxymethyl)putrescine
定義日:2015-12-31
最終更新日:2024-09-27
公開日:2016-04-20
識別子（ID）:(4-azanylbutylamino)methanediol
N2P
N2P
表記:PENTANE-1,5-DIAMINE
組成式:C5 H14 N2
SMILES:NCCCCCN
InChi:InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
定義日:2002-05-23
最終更新日:2024-09-27
識別子（ID）:pentane-1,5-diamine
N2Q
N2Q
表記:(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole
組成式:C8 H8 N2 O
SMILES:Cc1ccc(o1)c1[NH]ncc1
InChi:InChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10)
定義日:2022-03-23
最終更新日:2024-09-27
公開日:2022-03-30
識別子（ID）:(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole
N2X
N2X
表記:(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
組成式:C17 H16 Br N O3
SMILES:CCOc1ccccc1CN1c2ccc(Br)cc2C(O)C1=O
InChi:InChI=1S/C17H16BrNO3/c1-2-22-15-6-4-3-5-11(15)10-19-14-8-7-12(18)9-13(14)16(20)17(19)21/h3-9,16,20H,2,10H2,1H3/t16-/m0/s1
定義日:2023-08-16
最終更新日:2024-09-27
公開日:2023-11-08
識別子（ID）:(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
N36
N36
表記:3-ethoxy-4-hydroxybenzaldehyde
組成式:C9 H10 O3
SMILES:CCOc1cc(ccc1O)C=O
InChi:InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
別名:Ethyl vanillin
定義日:2022-03-23
最終更新日:2024-09-27
公開日:2022-12-14
識別子（ID）:3-ethoxy-4-hydroxybenzaldehyde
N38
N38
表記:3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide
組成式:C26 H41 N3 O7 S
SMILES:COc3ccc(OCCCS(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O)cc3
InChi:InChI=1S/C26H41N3O7S/c1-35-22-8-10-23(11-9-22)36-14-5-15-37(33,34)29-24(16-19-6-3-2-4-7-19)26(32)28-21(18-30)17-20-12-13-27-25(20)31/h8-11,19-21,24,29-30H,2-7,12-18H2,1H3,(H,27,31)(H,28,32)/t20-,21-,24-/m0/s1
別名:3-cyclohexyl-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alan inamide (bound form)
定義日:2016-09-12
最終更新日:2024-09-27
公開日:2016-11-23
識別子（ID）:3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-alaninamide
35J
35J
表記:N-(pyridin-3-ylmethyl)thioformamide
組成式:C7 H8 N2 S
SMILES:S=CNCc1cccnc1
InChi:InChI=1S/C7H8N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4,6H,5H2,(H,9,10)
定義日:2014-06-19
最終更新日:2024-09-27
公開日:2015-09-30
識別子（ID）:N-(pyridin-3-ylmethyl)thioformamide
35P
35P
表記:(2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
組成式:C16 H20 N2 O5 S
SMILES:c1c(cccc1)OCC(=O)NC(C2NC(C(S2)(C)C)C(O)=O)C=O
InChi:InChI=1S/C16H20N2O5S/c1-16(2)13(15(21)22)18-14(24-16)11(8-19)17-12(20)9-23-10-6-4-3-5-7-10/h3-8,11,13-14,18H,9H2,1-2H3,(H,17,20)(H,21,22)/t11-,13+,14-/m1/s1
別名:OPEN FORM - PENICILLIN V
定義日:2014-06-19
最終更新日:2024-09-27
公開日:2014-07-08
識別子（ID）:(2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid
35V
35V
表記:4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
組成式:C19 H25 N O5 S
SMILES:O(c1ccc(cc1OC)CCNCC(O)c2ccc(O)c(O)c2)CCS
InChi:InChI=1S/C19H25NO5S/c1-24-19-10-13(2-5-18(19)25-8-9-26)6-7-20-12-17(23)14-3-4-15(21)16(22)11-14/h2-5,10-11,17,20-23,26H,6-9,12H2,1H3/t17-/m0/s1
定義日:2014-06-23
最終更新日:2024-09-27
公開日:2014-07-23
識別子（ID）:4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol
N3O
N3O
表記:~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide
組成式:C10 H11 N3 O2
SMILES:CCC(=O)Nc1cnc2onc(C)c2c1
InChi:InChI=1S/C10H11N3O2/c1-3-9(14)12-7-4-8-6(2)13-15-10(8)11-5-7/h4-5H,3H2,1-2H3,(H,12,14)
定義日:2022-08-11
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide
35Z
35Z
表記:2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
組成式:C25 H25 N5 O3
SMILES:COc1cccc(c1)c2nccc(n2)c3[nH]c4c(c3)C(=O)NCC45CCN(CC5)C(=O)C=C
InChi:InChI=1S/C25H25N5O3/c1-3-21(31)30-11-8-25(9-12-30)15-27-24(32)18-14-20(28-22(18)25)19-7-10-26-23(29-19)16-5-4-6-17(13-16)33-2/h3-7,10,13-14,28H,1,8-9,11-12,15H2,2H3,(H,27,32)
定義日:2021-06-23
最終更新日:2024-09-27
公開日:2021-10-20
識別子（ID）:2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
N3X
N3X
表記:~{N}-[(1-methylindazol-6-yl)methyl]propanamide
組成式:C12 H15 N3 O
SMILES:CCC(=O)NCc1ccc2cnn(C)c2c1
InChi:InChI=1S/C12H15N3O/c1-3-12(16)13-7-9-4-5-10-8-14-15(2)11(10)6-9/h4-6,8H,3,7H2,1-2H3,(H,13,16)
定義日:2022-08-11
最終更新日:2024-09-27
公開日:2022-09-28
識別子（ID）:~{N}-[(1-methylindazol-6-yl)methyl]propanamide

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