 | | V0G | | Name: | N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide | | Formula: | C31 H30 Cl N7 O2 | | SMILES: | c1c(ccc(c1)NC(=O)CCCN(C)C)C(=O)Nc2cccc(c2)Nc3nc(c(Cl)cn3)c4c5c(nc4)cccc5 | | InChi: | InChI=1S/C31H30ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-5,7-10,12-15,17-19,33H,6,11,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38) | | Definition date: | 2020-06-10 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-09 | | Identifier: | N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide |
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 | | TEM | | Name: | N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE | | Formula: | C7 H11 N O3 | | SMILES: | O=CC=CNCC(O)CC=O | | InChi: | InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-5,7-8,11H,2,6H2/b3-1+/t7-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (3R)-3-hydroxy-4-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanal |
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 | | REV | | Name: | 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol | | Formula: | C17 H20 O4 | | SMILES: | O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C | | InChi: | InChI=1S/C17H20O4/c1-4-12(11-8-6-5-7-9-11)13-10-14(18)16(20-2)17(21-3)15(13)19/h5-10,12,18-19H,4H2,1-3H3/t12-/m0/s1 | | Definition date: | 2014-04-25 | | Last modified: | 2024-09-27 | | Release date: | 2014-10-15 | | Identifier: | 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol |
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 | | NOU | | Name: | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid | | Formula: | C9 H13 N3 O2 | | SMILES: | O=C(O)C(N)CCNc1ccccn1 | | InChi: | InChI=1S/C9H13N3O2/c10-7(9(13)14)4-6-12-8-3-1-2-5-11-8/h1-3,5,7H,4,6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1 | | Definition date: | 2022-04-07 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-30 | | Identifier: | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid |
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 | | RST | | Name: | 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose | | Formula: | C6 H13 N O3 | | SMILES: | OC1C(OC(O)CC1N)C | | InChi: | InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1 | | Synonyms: | RISTOSAMINE | | Definition date: | 2002-09-02 | | Last modified: | 2024-09-27 | | Identifier: | 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose |
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 | | OYU | | Name: | ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate | | Formula: | C7 H15 N O3 | | SMILES: | CC(C)(C)OC(=O)NCCO | | InChi: | InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10) | | Definition date: | 2022-09-28 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-27 | | Identifier: | ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate |
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 | | OJK | | Name: | 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol | | Formula: | C7 H8 Cl N O2 | | SMILES: | NCc1cc(O)c(Cl)cc1O | | InChi: | InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2 | | Definition date: | 2021-03-22 | | Last modified: | 2024-09-27 | | Release date: | 2021-03-31 | | Identifier: | 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol |
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 | | OYV | | Name: | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol | | Formula: | C14 H20 N2 O7 | | SMILES: | C(=O)([C@H]=[C@H]C=1C(=O)NC(NC=1CCC(C(C(O)CO)O)O)=O)C | | InChi: | InChI=1S/C14H20N2O7/c1-7(18)2-3-8-9(15-14(23)16-13(8)22)4-5-10(19)12(21)11(20)6-17/h2-3,10-12,17,19-21H,4-6H2,1H3,(H2,15,16,22,23)/b3-2+/t10-,11+,12-/m0/s1 | | Definition date: | 2019-07-19 | | Last modified: | 2024-09-27 | | Release date: | 2020-02-19 | | Identifier: | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol |
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 | | NOW | | Name: | Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide | | Formula: | C21 H29 N5 O2 | | SMILES: | O=C(c1cc(nn1C)C(C)(C)C)NC(C(=O)NCC=[N@H])Cc2cccc(c2)C | | InChi: | InChI=1S/C21H29N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-9,11,13,16,22H,10,12H2,1-5H3,(H,23,27)(H,24,28)/b22-9+/t16-/m0/s1 | | Definition date: | 2009-05-22 | | Last modified: | 2024-09-27 | | Identifier: | Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide |
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 | | NB2 | | Name: | (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 | | Formula: | 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 | | Definition date: | 2022-01-10 | | Last modified: | 2024-09-27 | | Release date: | 2022-03-02 | | Identifier: | (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 |
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 | | REZ | | Name: | (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID | | Formula: | C10 H18 N2 O5 | | SMILES: | O=C(O)C(NC(=O)CCCCC(N)C(=O)O)C | | InChi: | InChI=1S/C10H18N2O5/c1-6(9(14)15)12-8(13)5-3-2-4-7(11)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m1/s1 | | Definition date: | 2006-11-15 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-amino-7-{[(1R)-1-carboxyethyl]amino}-7-oxoheptanoic acid |
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 | | SLL | | Name: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid | | Formula: | C10 H18 N2 O5 | | SMILES: | O=C(O)C(N)CCCCNC(=O)CCC(=O)O | | InChi: | InChI=1S/C10H18N2O5/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | | Synonyms: | 6-N-succinyl-L-lysine | | Definition date: | 2010-03-04 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-(3-carboxypropanoyl)-L-lysine |
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 | | M2L | | Name: | (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid | | Formula: | C7 H16 N2 O2 S | | SMILES: | O=C(O)C(N)CSCCN(C)C | | InChi: | InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1 | | Definition date: | 2008-04-09 | | Last modified: | 2024-09-27 | | Identifier: | S-[2-(dimethylamino)ethyl]-L-cysteine |
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 | | NB3 | | Name: | ~{N}-[(1-methylindazol-3-yl)methyl]propanamide | | Formula: | 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) | | Synonyms: | N-[(1-methylindazol-3-yl)methyl]prop-2-enamide (precursor) | | Definition date: | 2022-08-16 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-28 | | Identifier: | ~{N}-[(1-methylindazol-3-yl)methyl]propanamide |
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 | | OJO | | Name: | 1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one | | Formula: | C13 H17 Cl N2 O2 | | SMILES: | CC(=O)N1CCN(Cc2cc(Cl)cc(O)c2)CC1 | | InChi: | InChI=1S/C13H17ClN2O2/c1-10(17)16-4-2-15(3-5-16)9-11-6-12(14)8-13(18)7-11/h6-8,18H,2-5,9H2,1H3 | | Definition date: | 2023-08-17 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-08 | | Identifier: | 1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one |
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 | | ASA | | Name: | ASPARTIC ALDEHYDE | | Formula: | C4 H7 N O3 | | SMILES: | O=CC(N)CC(=O)O | | InChi: | InChI=1S/C4H7NO3/c5-3(2-6)1-4(7)8/h2-3H,1,5H2,(H,7,8)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-amino-4-oxobutanoic acid |
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 | | MIE | | Name: | methylglyoxal | | Formula: | C3 H4 O2 | | SMILES: | O=CC(C)=O | | InChi: | InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3 | | Definition date: | 2022-03-16 | | Last modified: | 2024-09-27 | | Release date: | 2022-08-24 | | Identifier: | 2-oxopropanal |
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 | | ASB | | Name: | ASPARTIC ACID-4-CARBOXYMETHYL ESTER | | Formula: | C6 H9 N O6 | | SMILES: | O=C(OCC(=O)O)CC(C(=O)O)N | | InChi: | InChI=1S/C6H9NO6/c7-3(6(11)12)1-5(10)13-2-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-4-(carboxymethoxy)-4-oxobutanoic acid (non-preferred name) |
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 | | BL2 | | Name: | N-(tert-butoxycarbonyl)-L-leucine | | Formula: | C11 H21 N O4 | | SMILES: | O=C(OC(C)(C)C)NC(C(=O)O)CC(C)C | | InChi: | InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1 | | Definition date: | 2012-05-31 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-22 | | Identifier: | N-(tert-butoxycarbonyl)-L-leucine |
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 | | OZ0 | | Name: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid | | Formula: | C11 H16 B N O6 S | | SMILES: | O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O | | InChi: | InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m1/s1 | | Definition date: | 2022-05-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-05 | | Identifier: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid |
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 | | M2P | | Name: | D-MANNITOL-1,6-DIPHOSPHATE | | Formula: | C6 H16 O12 P2 | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O | | InChi: | InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1 | | Synonyms: | 1,6-DI-O-PHOSPHONO-D-MANNITOL | | Definition date: | 2005-04-26 | | Last modified: | 2024-09-27 | | Identifier: | 1,6-di-O-phosphono-D-mannitol |
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 | | ASD | | Name: | 4-ANDROSTENE-3-17-DIONE | | Formula: | C19 H26 O2 | | SMILES: | O=C3CCC4C2C(C1(C(=CC(=O)CC1)CC2)C)CCC34C | | InChi: | InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 | | Definition date: | 2000-02-23 | | Last modified: | 2024-09-27 | | Identifier: | androst-4-ene-3,17-dione |
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 | | MVO | | Name: | 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide | | Formula: | C20 H27 Cl2 N3 O3 | | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3 | | InChi: | InChI=1S/C20H27Cl2N3O3/c21-13-18(26)23-14-15-5-9-25(10-6-15)19(27)20(7-11-28-12-8-20)24-17-3-1-16(22)2-4-17/h1-4,15,24H,5-14H2,(H,23,26) | | Definition date: | 2022-08-04 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-20 | | Identifier: | 2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
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 | | V0Q | | Name: | [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol | | Formula: | C13 H20 N2 O3 S | | SMILES: | CCN1CCN(CC1)[S](=O)(=O)c2ccc(CO)cc2 | | InChi: | InChI=1S/C13H20N2O3S/c1-2-14-7-9-15(10-8-14)19(17,18)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3 | | Definition date: | 2021-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | [4-(4-ethylpiperazin-1-yl)sulfonylphenyl]methanol |
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 | | OZ3 | | Name: | 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine | | Formula: | C9 H12 N3 | | SMILES: | NCc1ccc2C(=[NH+]Cc2c1)N | | InChi: | InChI=1S/C9H11N3/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,4-5,10H2,(H2,11,12)/p+1 | | Definition date: | 2022-09-28 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-04 | | Identifier: | 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine |
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