| 427 | Name: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE | Formula: | C10 H14 B N3 O3 | SMILES: | OCC1OB(OC1)c2ccc(NC(=[N@H])N)cc2 | InChi: | InChI=1S/C10H14BN3O3/c12-10(13)14-8-3-1-7(2-4-8)11-16-6-9(5-15)17-11/h1-4,9,15H,5-6H2,(H4,12,13,14)/t9-/m1/s1 | Definition date: | 2005-06-02 | Last modified: | 2024-09-27 | Identifier: | 1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}guanidine |
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| IVA | Name: | ISOVALERIC ACID | Formula: | C5 H10 O2 | SMILES: | O=C(O)CC(C)C | InChi: | InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 3-methylbutanoic acid |
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| Y8O | Name: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C24 H37 F2 N5 O4 | SMILES: | CC1(C)C2C(C(=O)NC(C=N)CC3CCCNC3=O)N(CC21)C(=O)C(NC(=O)C(F)F)C(C)(C)C | InChi: | InChI=1S/C24H37F2N5O4/c1-23(2,3)17(30-21(34)18(25)26)22(35)31-11-14-15(24(14,4)5)16(31)20(33)29-13(10-27)9-12-7-6-8-28-19(12)32/h10,12-18,27H,6-9,11H2,1-5H3,(H,28,32)(H,29,33)(H,30,34)/b27-10-/t12-,13-,14-,15-,16-,17+/m0/s1 | Definition date: | 2023-01-12 | Last modified: | 2024-09-27 | Release date: | 2023-12-06 | Identifier: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| Y8P | Name: | (3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid | Formula: | C16 H25 N2 O7 P | SMILES: | Oc1c(CNC2CC(CCC2C)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C16H25N2O7P/c1-9-3-4-11(16(20)21)5-14(9)18-7-13-12(8-25-26(22,23)24)6-17-10(2)15(13)19/h6,9,11,14,18-19H,3-5,7-8H2,1-2H3,(H,20,21)(H2,22,23,24)/t9-,11?,14+/m0/s1 | Definition date: | 2021-02-10 | Last modified: | 2024-09-27 | Release date: | 2021-08-25 | Identifier: | (1R,3R,4S)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid |
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| ZT1 | Name: | N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine | Formula: | C14 H26 N4 O2 | SMILES: | Cn1cncc1CN(CCCCC(N)C(=O)O)C(C)C | InChi: | InChI=1S/C14H26N4O2/c1-11(2)18(9-12-8-16-10-17(12)3)7-5-4-6-13(15)14(19)20/h8,10-11,13H,4-7,9,15H2,1-3H3,(H,19,20)/t13-/m0/s1 | Definition date: | 2021-05-28 | Last modified: | 2024-09-27 | Release date: | 2021-07-21 | Identifier: | N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine |
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| WE0 | Name: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid | Formula: | C28 H35 N3 O7 | SMILES: | CC(C)[CH](NC(=O)c1ccc2ccccc2c1)C(=O)N3C4CCC(O)(CC4)[CH]3C(=O)N[CH](CO)CC(O)=O | InChi: | InChI=1S/C28H35N3O7/c1-16(2)23(30-25(35)19-8-7-17-5-3-4-6-18(17)13-19)27(37)31-21-9-11-28(38,12-10-21)24(31)26(36)29-20(15-32)14-22(33)34/h3-8,13,16,20-21,23-24,32,38H,9-12,14-15H2,1-2H3,(H,29,36)(H,30,35)(H,33,34)/t20-,21-,23-,24+,28-/m0/s1 | Definition date: | 2016-12-12 | Last modified: | 2024-09-27 | Release date: | 2017-12-20 | Identifier: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid |
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| V2T | Name: | 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide | Formula: | C12 H11 N3 O2 | SMILES: | Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1 | InChi: | InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17) | Definition date: | 2021-04-08 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide |
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| UO9 | Name: | (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C24 H37 N3 O9 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C24H37N3O9S2/c1-15(2)12-18(27-23(31)36-14-24(3,4)37(32)17-8-6-5-7-9-17)21(29)26-19(22(30)38(33,34)35)13-16-10-11-25-20(16)28/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,33,34,35)/t16-,18-,19-,22+,37-/m0/s1 | Definition date: | 2022-08-23 | Last modified: | 2024-09-27 | Release date: | 2022-09-07 | Identifier: | (1R,2S)-2-{[N-({2-[(S)-benzenesulfinyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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| Y8R | Name: | 2-ethanoyl-3-oxidanyl-cyclohex-2-en-1-one | Formula: | C8 H10 O3 | SMILES: | CC(=O)C1=C(O)CCCC1=O | InChi: | InChI=1S/C8H10O3/c1-5(9)8-6(10)3-2-4-7(8)11/h10H,2-4H2,1H3 | Definition date: | 2023-11-27 | Last modified: | 2024-09-27 | Release date: | 2024-10-02 | Identifier: | 2-ethanoyl-3-oxidanyl-cyclohex-2-en-1-one |
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| T2G | Name: | 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one | Formula: | C14 H20 N2 O | SMILES: | N2(CCN(Cc1cccc(c1)C)CC2)C(=O)C | InChi: | InChI=1S/C14H20N2O/c1-12-4-3-5-14(10-12)11-15-6-8-16(9-7-15)13(2)17/h3-5,10H,6-9,11H2,1-2H3 | Definition date: | 2020-03-16 | Last modified: | 2024-09-27 | Release date: | 2020-03-25 | Identifier: | 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one |
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| ZAB | Name: | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | Formula: | C15 H15 N3 O2 | SMILES: | O=C(O)Cc2cccc(N=N/c1cccc(c1)CN)c2 | InChi: | InChI=1S/C15H15N3O2/c16-10-12-4-2-6-14(8-12)18-17-13-5-1-3-11(7-13)9-15(19)20/h1-8H,9-10,16H2,(H,19,20)/b18-17- | Definition date: | 2006-06-01 | Last modified: | 2024-09-27 | Identifier: | (3-{(Z)-[3-(aminomethyl)phenyl]diazenyl}phenyl)acetic acid |
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| Y8S | Name: | (1R,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C24 H39 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23+/m0/s1 | Definition date: | 2021-02-10 | Last modified: | 2024-09-27 | Release date: | 2021-02-17 | Identifier: | (2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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| IVF | Name: | N-(iodoacetyl)-L-valyl-L-phenylalaninamide | Formula: | C16 H22 I N3 O3 | SMILES: | ICC(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)C(C)C | InChi: | InChI=1S/C16H22IN3O3/c1-10(2)14(20-13(21)9-17)16(23)19-12(15(18)22)8-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)/t12-,14-/m0/s1 | Synonyms: | iodoacetyl-valyl-phenylalanyl-amide | Definition date: | 2012-05-07 | Last modified: | 2024-09-27 | Identifier: | N-(iodoacetyl)-L-valyl-L-phenylalaninamide |
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| Y8V | Name: | (1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C24 H39 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CC=C[CH](C1)C2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C24H39N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h3-4,14-20,23,30H,5-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23-/m0/s1 | Definition date: | 2021-02-10 | Last modified: | 2024-09-27 | Release date: | 2021-02-17 | Identifier: | (1~{S},2~{S})-2-[[(2~{S})-2-[[(1~{R},3~{S},5~{S})-3-bicyclo[3.3.1]non-6-enyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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| V2W | Name: | 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide | Formula: | C16 H15 N O3 | SMILES: | COc1ccc(CNC(=O)c2ccc(C=O)cc2)cc1 | InChi: | InChI=1S/C16H15NO3/c1-20-15-8-4-12(5-9-15)10-17-16(19)14-6-2-13(11-18)3-7-14/h2-9,11H,10H2,1H3,(H,17,19) | Definition date: | 2021-04-08 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide |
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| TH5 | Name: | O-acetyl-L-threonine | Formula: | C6 H11 N O4 | SMILES: | O=C(OC(C(N)C(=O)O)C)C | InChi: | InChI=1S/C6H11NO4/c1-3(11-4(2)8)5(7)6(9)10/h3,5H,7H2,1-2H3,(H,9,10)/t3-,5+/m1/s1 | Definition date: | 2008-08-01 | Last modified: | 2024-09-27 | Identifier: | O-acetyl-L-threonine |
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| T2J | Name: | 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one | Formula: | C12 H15 N3 O3 | SMILES: | N2(c1ccccc1[N+]([O-])=O)CCN(CC2)C(=O)C | InChi: | InChI=1S/C12H15N3O3/c1-10(16)13-6-8-14(9-7-13)11-4-2-3-5-12(11)15(17)18/h2-5H,6-9H2,1H3 | Definition date: | 2020-03-16 | Last modified: | 2024-09-27 | Release date: | 2020-03-25 | Identifier: | 1-[4-(2-nitrophenyl)piperazin-1-yl]ethan-1-one |
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| ZAE | Name: | N-methyl-D-phenylalanine | Formula: | C10 H13 N O2 | SMILES: | O=C(O)C(NC)Cc1ccccc1 | InChi: | InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m1/s1 | Definition date: | 2009-02-06 | Last modified: | 2024-09-27 | Identifier: | N-methyl-D-phenylalanine |
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| ZT6 | Name: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine | Formula: | C18 H30 Cl N O4 Si | SMILES: | Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O | InChi: | InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17+/m0/s1 | Definition date: | 2023-03-30 | Last modified: | 2024-09-27 | Release date: | 2023-06-21 | Identifier: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine |
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| TH6 | Name: | 4-HYDROXY-L-THREONINE | Formula: | C4 H9 N O4 | SMILES: | O=C(O)C(N)C(O)CO | InChi: | InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1 | Definition date: | 2009-10-22 | Last modified: | 2024-09-27 | Identifier: | 4-hydroxy-L-threonine |
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| YPZ | Name: | 3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine | Formula: | C15 H15 N3 O4 | SMILES: | O=C2C=C(O)C(=N/Nc1ccccc1)C=C2CC(C(=O)O)N | InChi: | InChI=1S/C15H15N3O4/c16-11(15(21)22)6-9-7-12(14(20)8-13(9)19)18-17-10-4-2-1-3-5-10/h1-5,7-8,11,17,20H,6,16H2,(H,21,22)/b18-12-/t11-/m0/s1 | Definition date: | 2013-04-12 | Last modified: | 2024-09-27 | Release date: | 2013-04-24 | Identifier: | 3-[(3Z)-4-hydroxy-6-oxo-3-(2-phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]-L-alanine |
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| Y8Y | Name: | (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid | Formula: | C24 H41 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]2CCC[CH](C2)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O | InChi: | InChI=1S/C24H41N3O8S/c1-14(2)8-19(27-24(31)35-13-17-10-15-4-3-5-16(9-15)11-17)22(29)26-20(23(30)36(32,33)34)12-18-6-7-25-21(18)28/h14-20,23,30H,3-13H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t15-,16+,17+,18-,19-,20-,23+/m0/s1 | Definition date: | 2021-02-10 | Last modified: | 2024-09-27 | Release date: | 2021-02-17 | Identifier: | (2~{S})-2-[[(2~{S})-2-[[(1~{R},5~{S})-3-bicyclo[3.3.1]nonanyl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid |
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| V2X | Name: | (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide | Formula: | C13 H16 N2 O2 | SMILES: | CC(=O)NNC(=O)[CH]1C[CH]1c2cccc(C)c2 | InChi: | InChI=1S/C13H16N2O2/c1-8-4-3-5-10(6-8)11-7-12(11)13(17)15-14-9(2)16/h3-6,11-12H,7H2,1-2H3,(H,14,16)(H,15,17)/t11-,12+/m1/s1 | Definition date: | 2023-02-21 | Last modified: | 2024-09-27 | Release date: | 2023-11-15 | Identifier: | (1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide |
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| T2L | Name: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C30 H37 F4 N5 O5 S | SMILES: | FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3c(F)cccc3s1)C2(C)C)C(C)(C)C | InChi: | InChI=1S/C30H37F4N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-14-18(29(14,4)5)20(39)24(42)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20-22,40H,9-12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,14-,16-,18-,20-,21-,22+/m0/s1 | Definition date: | 2022-07-15 | Last modified: | 2024-09-27 | Release date: | 2022-09-21 | Identifier: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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| ZT9 | Name: | (2R)-amino(4-methoxyphenyl)ethanethioic O-acid | Formula: | C9 H11 N O2 S | SMILES: | COc1ccc(cc1)C(N)C(O)=S | InChi: | InChI=1S/C9H11NO2S/c1-12-7-4-2-6(3-5-7)8(10)9(11)13/h2-5,8H,10H2,1H3,(H,11,13)/t8-/m1/s1 | Definition date: | 2023-03-30 | Last modified: | 2024-09-27 | Release date: | 2023-06-21 | Identifier: | (2R)-amino(4-methoxyphenyl)ethanethioic O-acid |
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