| 33L | Name: | N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide | Formula: | 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 | Synonyms: | Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form | Definition date: | 2014-06-10 | Last modified: | 2024-09-27 | Release date: | 2015-08-05 | Identifier: | N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide |
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| 33S | Name: | 3-iodo-L-phenylalanine | Formula: | 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 | Definition date: | 2014-06-13 | Last modified: | 2024-09-27 | Release date: | 2014-11-12 | Identifier: | 3-iodo-L-phenylalanine |
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| N1L | Name: | 2-amino-2-deoxy-beta-D-glucopyranuronic acid | Formula: | 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 | Synonyms: | 2-amino-2-deoxy-beta-D-glucuronic acid | Definition date: | 2008-03-11 | Last modified: | 2024-09-27 | Identifier: | 2-amino-2-deoxy-beta-D-glucopyranuronic acid |
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| 33X | Name: | N-methyl-D-alanine | Formula: | 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 | Definition date: | 2014-06-16 | Last modified: | 2024-09-27 | Release date: | 2014-11-12 | Identifier: | N-methyl-D-alanine |
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| N1R | Name: | 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide | Formula: | 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) | Definition date: | 2022-08-11 | Last modified: | 2024-09-27 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide |
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| N1U | Name: | (3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one | Formula: | 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 | Definition date: | 2023-08-16 | Last modified: | 2024-09-27 | Release date: | 2023-11-08 | Identifier: | (3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one |
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| N1W | Name: | (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 | Formula: | 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 | Definition date: | 2019-11-06 | Last modified: | 2024-09-27 | Release date: | 2019-12-04 | Identifier: | (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 |
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| N1X | Name: | (2S)-2-(5-methylfuran-2-yl)oxane | Formula: | 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 | Definition date: | 2022-03-23 | Last modified: | 2024-09-27 | Release date: | 2022-03-30 | Identifier: | (2S)-2-(5-methylfuran-2-yl)oxane |
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| 34E | Name: | (3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine | Formula: | 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 | Definition date: | 2014-06-16 | Last modified: | 2024-09-27 | Release date: | 2014-11-12 | Identifier: | (3R)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-methyl-L-valine |
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| 34H | Name: | (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID | Formula: | 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 | Definition date: | 2010-07-21 | Last modified: | 2024-09-27 | Identifier: | (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid |
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| N29 | Name: | ~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide | Formula: | 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) | Definition date: | 2022-08-11 | Last modified: | 2024-09-27 | Release date: | 2022-09-28 | Identifier: | ~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide |
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| N2C | Name: | N,S-DIMETHYLCYSTEINE | Formula: | 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 | Definition date: | 2004-11-02 | Last modified: | 2024-09-27 | Identifier: | N,S-dimethyl-L-cysteine |
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| N2F | Name: | 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran | Formula: | 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 | Synonyms: | NSC697923 | Definition date: | 2014-02-07 | Last modified: | 2024-09-27 | Release date: | 2015-05-06 | Identifier: | 2-[(4-methylphenyl)sulfonyl]-5-nitrofuran |
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| N2H | Name: | (4-azanylbutylamino)methanediol | Formula: | 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 | Synonyms: | N-(dihydroxymethyl)putrescine | Definition date: | 2015-12-31 | Last modified: | 2024-09-27 | Release date: | 2016-04-20 | Identifier: | (4-azanylbutylamino)methanediol |
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| N2P | Name: | PENTANE-1,5-DIAMINE | Formula: | C5 H14 N2 | SMILES: | NCCCCCN | InChi: | InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2 | Definition date: | 2002-05-23 | Last modified: | 2024-09-27 | Identifier: | pentane-1,5-diamine |
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| N2Q | Name: | (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole | Formula: | 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) | Definition date: | 2022-03-23 | Last modified: | 2024-09-27 | Release date: | 2022-03-30 | Identifier: | (5P)-5-(5-methylfuran-2-yl)-1H-pyrazole |
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| N2X | Name: | (3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one | Formula: | 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 | Definition date: | 2023-08-16 | Last modified: | 2024-09-27 | Release date: | 2023-11-08 | Identifier: | (3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one |
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| N36 | Name: | 3-ethoxy-4-hydroxybenzaldehyde | Formula: | 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 | Synonyms: | Ethyl vanillin | Definition date: | 2022-03-23 | Last modified: | 2024-09-27 | Release date: | 2022-12-14 | Identifier: | 3-ethoxy-4-hydroxybenzaldehyde |
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| 35J | Name: | N-(pyridin-3-ylmethyl)thioformamide | Formula: | 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) | Definition date: | 2014-06-19 | Last modified: | 2024-09-27 | Release date: | 2015-09-30 | Identifier: | N-(pyridin-3-ylmethyl)thioformamide |
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| N38 | Name: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-
alaninamide | Formula: | 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 | Synonyms: | 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) | Definition date: | 2016-09-12 | Last modified: | 2024-09-27 | Release date: | 2016-11-23 | Identifier: | 3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L-alaninamide |
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| 35P | Name: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid | Formula: | 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 | Synonyms: | OPEN FORM - PENICILLIN V | Definition date: | 2014-06-19 | Last modified: | 2024-09-27 | Release date: | 2014-07-08 | Identifier: | (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid |
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| 35V | Name: | 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol | Formula: | 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 | Definition date: | 2014-06-23 | Last modified: | 2024-09-27 | Release date: | 2014-07-23 | Identifier: | 4-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(2-sulfanylethoxy)phenyl]ethyl}amino)ethyl]benzene-1,2-diol |
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| N3O | Name: | ~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide | Formula: | 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) | Definition date: | 2022-08-11 | Last modified: | 2024-09-27 | Release date: | 2022-09-28 | Identifier: | ~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide |
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| 35Z | Name: | 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 | Formula: | 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) | Definition date: | 2021-06-23 | Last modified: | 2024-09-27 | Release date: | 2021-10-20 | Identifier: | 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 |
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| N3X | Name: | ~{N}-[(1-methylindazol-6-yl)methyl]propanamide | Formula: | 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) | Definition date: | 2022-08-11 | Last modified: | 2024-09-27 | Release date: | 2022-09-28 | Identifier: | ~{N}-[(1-methylindazol-6-yl)methyl]propanamide |
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