 | | Y56 | | Name: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide | | Formula: | C34 H36 N8 O2 | | SMILES: | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N1CCC(C1)Nc1nccc(n1)c1c2ccccn2nc1c1ccccc1 | | InChi: | InChI=1S/C34H36N8O2/c1-40(2)20-8-12-30(43)36-26-15-13-25(14-16-26)33(44)41-22-18-27(23-41)37-34-35-19-17-28(38-34)31-29-11-6-7-21-42(29)39-32(31)24-9-4-3-5-10-24/h3-7,9-11,13-17,19,21,27H,8,12,18,20,22-23H2,1-2H3,(H,36,43)(H,35,37,38)/t27-/m0/s1 | | Definition date: | 2021-10-12 | | Last modified: | 2024-09-27 | | Release date: | 2023-06-28 | | Identifier: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide |
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 | | LYV | | Name: | O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide | | Formula: | C9 H19 N4 O8 P | | SMILES: | O=P(OCC(C(=O)NCC(=O)NCCC(C(=O)O)N)N)(O)O | | InChi: | InChI=1S/C9H19N4O8P/c10-5(9(16)17)1-2-12-7(14)3-13-8(15)6(11)4-21-22(18,19)20/h5-6H,1-4,10-11H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)/t5-,6-/m0/s1 | | Definition date: | 2013-12-06 | | Last modified: | 2024-09-27 | | Release date: | 2014-12-03 | | Identifier: | O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide |
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 | | KCR | | Name: | N-6-crotonyl-L-lysine | | Formula: | C10 H18 N2 O3 | | SMILES: | NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C | | InChi: | InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1 | | Definition date: | 2015-03-26 | | Last modified: | 2024-09-27 | | Release date: | 2015-09-16 | | Identifier: | N~6~-[(2E)-but-2-enoyl]-L-lysine |
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 | | SHU | | Name: | 4,6-DIOXOHEPTANOIC ACID | | Formula: | C7 H10 O4 | | SMILES: | O=C(CC(=O)C)CCC(=O)O | | InChi: | InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11) | | Synonyms: | SUCCINYLACETONE | | Definition date: | 2001-07-09 | | Last modified: | 2024-09-27 | | Identifier: | 4,6-dioxoheptanoic acid |
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 | | YW0 | | Name: | methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate | | Formula: | C20 H27 N3 O4 | | SMILES: | C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O | | InChi: | InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26) | | Definition date: | 2023-06-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-03-06 | | Identifier: | methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate |
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 | | Y57 | | Name: | N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine | | Formula: | C17 H28 N2 O2 | | SMILES: | C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1 | | InChi: | InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1 | | Definition date: | 2021-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2021-12-15 | | Identifier: | N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine |
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 | | VP1 | | Name: | Fluorenylmethyloxycarbonyl chloride | | Formula: | C15 H11 Cl O2 | | SMILES: | ClC(=O)OCC1c2ccccc2c3ccccc13 | | InChi: | InChI=1S/C15H11ClO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2 | | Definition date: | 2023-03-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-02-21 | | Identifier: | 9~{H}-fluoren-9-ylmethyl carbonochloridate |
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 | | KRT | | Name: | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid | | Formula: | C9 H9 B O4 | | SMILES: | OB(O)c1cccc(C=CC(O)=O)c1 | | InChi: | InChI=1S/C9H9BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6,13-14H,(H,11,12)/b5-4+ | | Definition date: | 2019-06-19 | | Last modified: | 2024-09-27 | | Release date: | 2019-10-09 | | Identifier: | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid |
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 | | OF9 | | Name: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide | | Formula: | C28 H32 F4 N4 O4 | | SMILES: | O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CC(F)(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4ccccn4 | | InChi: | InChI=1S/C28H32F4N4O4/c29-27(30)11-9-19(10-12-27)26(40)36-17-28(31,32)15-22(36)24(38)35-21(14-18-6-2-1-3-7-18)23(37)25(39)34-16-20-8-4-5-13-33-20/h1-8,13,19,21-23,37H,9-12,14-17H2,(H,34,39)(H,35,38)/t21-,22-,23+/m1/s1 | | Definition date: | 2023-01-31 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-16 | | Identifier: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide |
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 | | SHV | | Name: | HEPTANOIC ACID | | Formula: | C7 H14 O2 | | SMILES: | O=C(O)CCCCCC | | InChi: | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) | | Definition date: | 2004-04-19 | | Last modified: | 2024-09-27 | | Identifier: | heptanoic acid |
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 | | S2B | | Name: | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one | | Formula: | C16 H12 B2 O8 | | SMILES: | O[B-]1(O)OC(=O)c2cc(C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)ccc12 | | InChi: | InChI=1S/C16H12B2O8/c19-15-11-7-9(3-5-13(11)17(21,22)25-15)1-2-10-4-6-14-12(8-10)16(20)26-18(14,23)24/h1-8,21-24H/q-2/b2-1+ | | Definition date: | 2019-08-20 | | Last modified: | 2024-09-27 | | Release date: | 2021-01-27 | | Identifier: | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one |
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 | | SHW | | Name: | S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3R)-3-hydroxyoctanethioate | | Formula: | C19 H37 N2 O9 P S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CC(O)CCCCC | | InChi: | InChI=1S/C19H37N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h14,17,22,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t14-,17-/m1/s1 | | Definition date: | 2009-10-15 | | Last modified: | 2024-09-27 | | Identifier: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxyoctanethioate |
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 | | LYX | | Name: | N''-(2-COENZYME A)-PROPANOYL-LYSINE | | Formula: | C30 H52 N9 O19 P3 S | | SMILES: | O=C(O)C(N)CCCCNC(=O)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C | | InChi: | InChI=1S/C30H52N9O19P3S/c1-16(26(43)34-8-5-4-6-17(31)29(45)46)62-11-10-33-19(40)7-9-35-27(44)23(42)30(2,3)13-55-61(52,53)58-60(50,51)54-12-18-22(57-59(47,48)49)21(41)28(56-18)39-15-38-20-24(32)36-14-37-25(20)39/h14-18,21-23,28,41-42H,4-13,31H2,1-3H3,(H,33,40)(H,34,43)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/t16-,17-,18+,21+,22+,23-,28+/m0/s1 | | Definition date: | 2002-07-22 | | Last modified: | 2024-09-27 | | Identifier: | (3S,5R,9R,19S,26S)-26-amino-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name) |
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 | | VAH | | Name: | (3R)-3-hydroxy-L-norvaline | | Formula: | C5 H11 N O3 | | SMILES: | O=C(O)C(N)C(O)CC | | InChi: | InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m1/s1 | | Synonyms: | L-3-Hydroxynorvaline | | Definition date: | 2010-06-16 | | Last modified: | 2024-09-27 | | Identifier: | (3R)-3-hydroxy-L-norvaline |
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 | | SVV | | Name: | O-[(S)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE | | Formula: | C3 H9 N2 O5 P | | SMILES: | O=P(O)(OCC(C(=O)O)N)N | | InChi: | InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-[(S)-amino(hydroxy)phosphoryl]-L-serine |
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 | | MDL | | Name: | [DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINE | | Formula: | C28 H29 F5 N4 O3 | | SMILES: | O=C(NC(C(=O)C(F)(F)C(F)(F)F)Cc2c1ccccc1nc2)C4N(C(=O)C(NC)Cc3ccccc3)CCC4 | | InChi: | InChI=1S/C28H29F5N4O3/c1-34-22(14-17-8-3-2-4-9-17)26(40)37-13-7-12-23(37)25(39)36-21(24(38)27(29,30)28(31,32)33)15-18-16-35-20-11-6-5-10-19(18)20/h2-6,8-11,16,21-23,34-35H,7,12-15H2,1H3,(H,36,39)/t21-,22+,23-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-methyl-D-phenylalanyl-N-[(2S)-4,4,5,5,5-pentafluoro-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-L-prolinamide |
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 | | SVW | | Name: | O-[(R)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE | | Formula: | C3 H9 N2 O5 P | | SMILES: | O=P(O)(OCC(C(=O)O)N)N | | InChi: | InChI=1S/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-[(R)-amino(hydroxy)phosphoryl]-L-serine |
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 | | 4BF | | Name: | 4-BROMO-L-PHENYLALANINE | | Formula: | C9 H10 Br N O2 | | SMILES: | Brc1ccc(cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | Synonyms: | P-BROMO-L-PHENYLALANINE | | Definition date: | 2005-08-22 | | Last modified: | 2024-09-27 | | Identifier: | 4-bromo-L-phenylalanine |
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 | | NL7 | | Name: | 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid | | Formula: | C12 H12 N2 O6 S2 | | SMILES: | c1cc(S(=O)(=O)O)ccc1S(Nc2cc(OC)cnc2)(=O)=O | | InChi: | InChI=1S/C12H12N2O6S2/c1-20-10-6-9(7-13-8-10)14-21(15,16)11-2-4-12(5-3-11)22(17,18)19/h2-8,14H,1H3,(H,17,18,19) | | Definition date: | 2019-05-20 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-04 | | Identifier: | 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid |
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 | | VAI | | Name: | (2S)-2-amino-3-methylbutane-1,1-diol | | Formula: | C5 H13 N O2 | | SMILES: | OC(O)C(N)C(C)C | | InChi: | InChI=1S/C5H13NO2/c1-3(2)4(6)5(7)8/h3-5,7-8H,6H2,1-2H3/t4-/m0/s1 | | Definition date: | 2011-02-01 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-methylbutane-1,1-diol |
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 | | S2D | | Name: | N-BENZOYL-D-ALANINE | | Formula: | C10 H11 N O3 | | SMILES: | O=C(NC(C(=O)O)C)c1ccccc1 | | InChi: | InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1 | | Definition date: | 2006-12-23 | | Last modified: | 2024-09-27 | | Identifier: | N-benzoyl-D-alanine |
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 | | YIL | | Name: | N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide | | Formula: | C30 H41 N7 O5 S | | SMILES: | CC(=O)NCc1cccc(c1)CC(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(O)(O)c1nc2ccccc2s1 | | InChi: | InChI=1S/C30H41N7O5S/c1-18(2)14-23(35-26(39)16-20-8-6-9-21(15-20)17-34-19(3)38)27(40)37-25(12-7-13-33-29(31)32)30(41,42)28-36-22-10-4-5-11-24(22)43-28/h4-6,8-11,15,18,23,25,41-42H,7,12-14,16-17H2,1-3H3,(H,34,38)(H,35,39)(H,37,40)(H4,31,32,33)/t23-,25-/m0/s1 | | Definition date: | 2023-02-06 | | Last modified: | 2024-09-27 | | Release date: | 2024-07-10 | | Identifier: | N~2~-{[3-(acetamidomethyl)phenyl]acetyl}-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1,1-dihydroxypentan-2-yl]-L-leucinamide |
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 | | U3X | | Name: | 4-[(cyclohexylmethyl)amino]-L-phenylalanine | | Formula: | C16 H24 N2 O2 | | SMILES: | O=C(O)C(N)Cc2ccc(NCC1CCCCC1)cc2 | | InChi: | InChI=1S/C16H24N2O2/c17-15(16(19)20)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h6-9,13,15,18H,1-5,10-11,17H2,(H,19,20)/t15-/m0/s1 | | Definition date: | 2013-05-06 | | Last modified: | 2024-09-27 | | Release date: | 2013-06-19 | | Identifier: | 4-[(cyclohexylmethyl)amino]-L-phenylalanine |
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 | | LYZ | | Name: | 5-HYDROXYLYSINE | | Formula: | C6 H14 N2 O3 | | SMILES: | O=C(O)C(N)CCC(O)CN | | InChi: | InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (5R)-5-hydroxy-L-lysine |
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 | | SVX | | Name: | O-[(R)-ETHOXY(METHYL)PHOSPHORYL]-L-SERINE | | Formula: | C6 H14 N O5 P | | SMILES: | O=P(OCC)(OCC(N)C(=O)O)C | | InChi: | InChI=1S/C6H14NO5P/c1-3-11-13(2,10)12-4-5(7)6(8)9/h5H,3-4,7H2,1-2H3,(H,8,9)/t5-,13+/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-[(R)-ethoxy(methyl)phosphoryl]-L-serine |
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