 | 2LR | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide | Formula: | C29 H47 N3 O6 | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(O)C2(OC2)C)CC(C)C)CC(C)C)CC(C)C | InChi: | InChI=1S/C29H47N3O6/c1-18(2)13-22(25(33)29(7)17-38-29)30-26(34)23(14-19(3)4)31-27(35)24(15-20(5)6)32-28(36)37-16-21-11-9-8-10-12-21/h8-12,18-20,22-25,33H,13-17H2,1-7H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24-,25+,29+/m0/s1 | Synonyms: | PHQ-LEU-LEU-LEU-EPOXYKETONE, unbound form | Definition date: | 2013-11-28 | Last modified: | 2024-09-27 | Release date: | 2014-02-12 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-{(1R,2S)-1-hydroxy-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-2-yl}-L-leucinamide |
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 | DIP | Name: | DIPENTYLAMINE | Formula: | C10 H23 N | SMILES: | N(CCCCC)CCCCC | InChi: | InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-pentylpentan-1-amine |
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 | 2LT | Name: | 3,5-dichloro-L-tyrosine | Formula: | C9 H9 Cl2 N O3 | SMILES: | Clc1cc(cc(Cl)c1O)CC(C(=O)O)N | InChi: | InChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 | Definition date: | 2013-12-18 | Last modified: | 2024-09-27 | Release date: | 2014-09-24 | Identifier: | 3,5-dichloro-L-tyrosine |
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 | 2LV | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide | Formula: | C33 H48 N4 O6 | SMILES: | O=C(Nc1ccccc1)C(O)C(NC(=O)C(NC(=O)C(NC(=O)OCc2ccccc2)CC(C)C)CC(C)C)CC(C)C | InChi: | InChI=1S/C33H48N4O6/c1-21(2)17-26(29(38)32(41)34-25-15-11-8-12-16-25)35-30(39)27(18-22(3)4)36-31(40)28(19-23(5)6)37-33(42)43-20-24-13-9-7-10-14-24/h7-16,21-23,26-29,38H,17-20H2,1-6H3,(H,34,41)(H,35,39)(H,36,40)(H,37,42)/t26-,27-,28-,29-/m0/s1 | Synonyms: | PHQ-Leu-Leu-Leu-ketoamide, bound form | Definition date: | 2013-11-29 | Last modified: | 2024-09-27 | Release date: | 2014-02-12 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-2-hydroxy-5-methyl-1-oxo-1-(phenylamino)hexan-3-yl]-L-leucinamide |
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 | DIV | Name: | D-ISOVALINE | Formula: | C5 H11 N O2 | SMILES: | O=C(O)C(N)(C)CC | InChi: | InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | D-isovaline |
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 | DIX | Name: | METHYL(CYCLOPENTYL-PROPYL)AMINE | Formula: | C9 H19 N | SMILES: | N(CCCC1CCCC1)C | InChi: | InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 3-cyclopentyl-N-methylpropan-1-amine |
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 | 2M1 | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide | Formula: | C28 H47 N3 O6 S | SMILES: | O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C | InChi: | InChI=1S/C28H47N3O6S/c1-19(2)15-23(13-14-38(7,35)36)29-26(32)24(16-20(3)4)30-27(33)25(17-21(5)6)31-28(34)37-18-22-11-9-8-10-12-22/h8-12,19-21,23-25H,13-18H2,1-7H3,(H,29,32)(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1 | Synonyms: | PHQ-Leu-Leu-Leu-vinylsulfone | Definition date: | 2013-12-02 | Last modified: | 2024-09-27 | Release date: | 2014-02-12 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(3S)-5-methyl-1-(methylsulfonyl)hexan-3-yl]-L-leucinamide |
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 | DIY | Name: | 5-BUTYLPIPERIDINE | Formula: | C9 H19 N | SMILES: | N1CCCC(CCCC)C1 | InChi: | InChI=1S/C9H19N/c1-2-3-5-9-6-4-7-10-8-9/h9-10H,2-8H2,1H3/t9-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (3R)-3-butylpiperidine |
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 | DJ5 | Name: | N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide | Formula: | C27 H52 N3 O8 P | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)CCCCCCC/C=CCCCCCC | InChi: | InChI=1S/C27H52N3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)28-20-21-29-24(32)18-19-30-26(34)25(33)27(2,3)22-38-39(35,36)37/h9-10,25,33H,4-8,11-22H2,1-3H3,(H,28,31)(H,29,32)(H,30,34)(H2,35,36,37)/b10-9-/t25-/m0/s1 | Definition date: | 2021-11-30 | Last modified: | 2024-09-27 | Release date: | 2022-11-23 | Identifier: | N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide |
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 | DJD | Name: | 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine | Formula: | C12 H13 N5 O2 | SMILES: | NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O | InChi: | InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1 | Definition date: | 2017-10-26 | Last modified: | 2024-09-27 | Release date: | 2019-10-02 | Identifier: | 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine |
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 | 2MK | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide | Formula: | C27 H45 N3 O6 | SMILES: | O=C(NC(CC(C)C)C(O)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C | InChi: | InChI=1S/C27H45N3O6/c1-17(2)12-21(24(32)15-31)28-25(33)22(13-18(3)4)29-26(34)23(14-19(5)6)30-27(35)36-16-20-10-8-7-9-11-20/h7-11,17-19,21-24,31-32H,12-16H2,1-6H3,(H,28,33)(H,29,34)(H,30,35)/t21-,22-,23-,24-/m0/s1 | Synonyms: | PHQ-Leu-Leu-Leu-ketoaldehyde, bound form | Definition date: | 2013-12-04 | Last modified: | 2024-09-27 | Release date: | 2014-02-12 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide |
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 | DJK | Name: | N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE | Formula: | C17 H13 Br N4 O | SMILES: | Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)C=C | InChi: | InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22) | Definition date: | 2006-08-02 | Last modified: | 2024-09-27 | Identifier: | N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide |
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 | 2ML | Name: | 2-METHYLLEUCINE | Formula: | C7 H15 N O2 | SMILES: | O=C(O)C(N)(C)CC(C)C | InChi: | InChI=1S/C7H15NO2/c1-5(2)4-7(3,8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1 | Definition date: | 2001-02-08 | Last modified: | 2024-09-27 | Identifier: | 2-methyl-L-leucine |
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 | 2MM | Name: | N,N-dimethyl-L-methionine | Formula: | C7 H15 N O2 S | SMILES: | O=C(O)C(N(C)C)CCSC | InChi: | InChI=1S/C7H15NO2S/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1 | Definition date: | 2008-03-14 | Last modified: | 2024-09-27 | Identifier: | N,N-dimethyl-L-methionine |
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 | 2MR | Name: | N3, N4-DIMETHYLARGININE | Formula: | C8 H18 N4 O2 | SMILES: | O=C(O)C(N)CCCNC(=N/C)NC | InChi: | InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1 | Definition date: | 2000-11-03 | Last modified: | 2024-09-27 | Identifier: | N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine |
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 | 2MT | Name: | (4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID | Formula: | C6 H11 N O2 S | SMILES: | O=C(O)C1NC(SC1)(C)C | InChi: | InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1 | Synonyms: | 2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID | Definition date: | 2004-02-16 | Last modified: | 2024-09-27 | Identifier: | (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | DJT | Name: | (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide | Formula: | C25 H25 Cl F N3 O4 S | SMILES: | O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(F)cc3)CC4)C5 | InChi: | InChI=1S/C25H25ClFN3O4S/c26-19-3-1-2-4-21(19)35(33,34)18-13-20(22(31)29-24(15-28)9-10-24)30(14-18)23(32)25(11-12-25)16-5-7-17(27)8-6-16/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1 | Definition date: | 2010-10-15 | Last modified: | 2024-09-27 | Identifier: | (4R)-4-[(2-chlorophenyl)sulfonyl]-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide |
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 | 2N2 | Name: | 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid | Formula: | C27 H26 N2 O7 S | SMILES: | O=CCCCCCNC(=S)Nc1ccc(c(C(=O)O)c1)C3c4c(Oc2c3ccc(O)c2)cc(O)cc4 | InChi: | InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37) | Definition date: | 2013-12-05 | Last modified: | 2024-09-27 | Release date: | 2014-02-26 | Identifier: | 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid |
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 | 2NF | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]
[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate | Formula: | C21 H26 F N7 O13 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]2F | InChi: | InChI=1S/C21H26FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H5-,23,24,25,26,33,34,35,36,37)/t10-,11-,12-,14-,15-,16-,20-,21-/m1/s1 | Synonyms: | nicotinamide 2'-deoxy-2'-fluororibofuranosyl adenine dinucleotide | Definition date: | 2009-03-27 | Last modified: | 2024-09-27 | Identifier: | [(2R,3R,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
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 | DKA | Name: | DECANOIC ACID | Formula: | C10 H20 O2 | SMILES: | O=C(O)CCCCCCCCC | InChi: | InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12) | Definition date: | 2000-07-17 | Last modified: | 2024-09-27 | Identifier: | decanoic acid |
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 | 2NO | Name: | NITROGEN DIOXIDE | Formula: | N O2 | SMILES: | ON=O | InChi: | InChI=1S/HNO2/c2-1-3/h(H,2,3) | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | nitrous acid |
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 | DLE | Name: | D-LEUCINE | Formula: | C6 H13 N O2 | SMILES: | O=C(O)C(N)CC(C)C | InChi: | InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | D-leucine |
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 | 2ON | Name: | 2-sulfanyl-1,9-dihydro-6H-purin-6-one | Formula: | C5 H4 N4 O S | SMILES: | O=C1c2ncnc2N=C(S)N1 | InChi: | InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) | Definition date: | 2014-04-23 | Last modified: | 2024-09-27 | Release date: | 2015-04-01 | Identifier: | 2-sulfanyl-1,9-dihydro-6H-purin-6-one |
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 | 2OP | Name: | (2S)-2-HYDROXYPROPANOIC ACID | Formula: | C3 H6 O3 | SMILES: | O=C(O)C(O)C | InChi: | InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1 | Definition date: | 2004-12-29 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-hydroxypropanoic acid |
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 | 2OR | Name: | amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium | Formula: | C6 H15 N4 O4 | SMILES: | O=C(O)C(N)C(O)C(O)CNC(=[NH2+])N | InChi: | InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1 | Definition date: | 2013-08-28 | Last modified: | 2024-09-27 | Release date: | 2014-06-25 | Identifier: | amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium |
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