 | | ZU5 | | Name: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide | | Formula: | C34 H52 N4 O7 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C3CC3)CC(C)C)C(OC(C)(C)C)C | | InChi: | InChI=1S/C34H52N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,21-22,24-27,29H,12-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22-,25+,26-,27+,29+/m1/s1 | | Synonyms: | TG-0205486 | | Definition date: | 2008-12-10 | | Last modified: | 2024-09-27 | | Identifier: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2R)-5-cyclopropyl-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide |
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 | | SBE | | Name: | 1,3,2-DIOXABOROLAN-2-OL | | Formula: | C2 H5 B O3 | | SMILES: | OB1OCCO1 | | InChi: | InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2 | | Definition date: | 2004-02-02 | | Last modified: | 2024-09-27 | | Identifier: | 1,3,2-dioxaborolan-2-ol |
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 | | YE3 | | Name: | (8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | | Formula: | C18 H15 F N2 O5 S | | SMILES: | FS(=O)(=O)CCNc1ccccc1c1cccc2c1NC=C(C2=O)C(=O)O | | InChi: | InChI=1S/C18H15FN2O5S/c19-27(25,26)9-8-20-15-7-2-1-4-11(15)12-5-3-6-13-16(12)21-10-14(17(13)22)18(23)24/h1-7,10,20H,8-9H2,(H,21,22)(H,23,24) | | Definition date: | 2023-12-01 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-25 | | Identifier: | (8M)-8-(2-{[2-(fluorosulfonyl)ethyl]amino}phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
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 | | V3Z | | Name: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate | | Formula: | C10 H11 N O6 S | | SMILES: | CC(C)[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O | | InChi: | InChI=1S/C10H11NO6S/c1-7(2)18(15,16)17-10-5-8(6-12)3-4-9(10)11(13)14/h3-7H,1-2H3 | | Definition date: | 2021-04-12 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate |
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 | | LEU | | Name: | 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-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | L-leucine |
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 | | XM2 | | Name: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide | | Formula: | C32 H44 N4 O7 | | SMILES: | c1ccc(cc1)COC(NC(C(=O)NC(C(NC(CC2C(NCC2)=O)CO)=O)Cc3ccccc3)C(C)OC(C)(C)C)=O | | InChi: | InChI=1S/C32H44N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h5-14,21,24-27,37H,15-20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21-,24+,25+,26+,27+/m1/s1 | | Definition date: | 2020-08-13 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-23 | | Identifier: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide |
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 | | UCV | | Name: | 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea | | Formula: | C6 H15 N3 O | | SMILES: | CC(C)[CH](N)CNC(N)=O | | InChi: | InChI=1S/C6H15N3O/c1-4(2)5(7)3-9-6(8)10/h4-5H,3,7H2,1-2H3,(H3,8,9,10)/t5-/m1/s1 | | Definition date: | 2018-08-22 | | Last modified: | 2024-09-27 | | Release date: | 2020-07-08 | | Identifier: | 1-[(2~{S})-2-azanyl-3-methyl-butyl]urea |
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 | | QQ8 | | Name: | (4~{S})-4-azanyl-5-formamido-pentanamide | | Formula: | C6 H13 N3 O3 | | SMILES: | N[CH](CCC(N)=O)CNC(O)=O | | InChi: | InChI=1S/C6H13N3O3/c7-4(1-2-5(8)10)3-9-6(11)12/h4,9H,1-3,7H2,(H2,8,10)(H,11,12)/t4-/m0/s1 | | Definition date: | 2020-07-23 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | [(2~{S})-2,5-bis(azanyl)-5-oxidanylidene-pentyl]carbamic acid |
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 | | R4F | | Name: | 1-(2-methylprop-2-enoyl)-1H-indole-3-carbaldehyde, bound form | | Formula: | C13 H13 N O2 | | SMILES: | CC(C)C(=O)n1cc(C=O)c2ccccc21 | | InChi: | InChI=1S/C13H13NO2/c1-9(2)13(16)14-7-10(8-15)11-5-3-4-6-12(11)14/h3-9H,1-2H3 | | Definition date: | 2022-06-16 | | Last modified: | 2024-09-27 | | Release date: | 2022-10-12 | | Identifier: | 1-(2-methylpropanoyl)-1H-indole-3-carbaldehyde |
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 | | NTN | | Name: | ISONICOTINAMIDINE | | Formula: | C6 H7 N3 | | SMILES: | [N@H]=C(N)c1ccncc1 | | InChi: | InChI=1S/C6H7N3/c7-6(8)5-1-3-9-4-2-5/h1-4H,(H3,7,8) | | Definition date: | 2001-04-16 | | Last modified: | 2024-09-27 | | Identifier: | pyridine-4-carboximidamide |
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 | | SBG | | Name: | O-[(S)-HYDROXY(METHYL)PHOSPHORYL]-L-SERINE | | Formula: | C4 H10 N O5 P | | SMILES: | O=P(OCC(C(=O)O)N)(O)C | | InChi: | InChI=1S/C4H10NO5P/c1-11(8,9)10-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-[(S)-hydroxy(methyl)phosphoryl]-L-serine |
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 | | Y0P | | Name: | 8-[bis(oxidanyl)-$l^{3}-sulfanyl]-~{N}-(3-fluoranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide | | Formula: | C15 H13 F2 N O7 S2 | | SMILES: | Fc1cc(cc(OC)c1)NS(=O)(=O)c1ccc(c2OCCOc12)S(F)(=O)=O | | InChi: | InChI=1S/C15H13F2NO7S2/c1-23-11-7-9(16)6-10(8-11)18-27(21,22)13-3-2-12(26(17,19)20)14-15(13)25-5-4-24-14/h2-3,6-8,18H,4-5H2,1H3 | | Definition date: | 2022-12-20 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-06 | | Identifier: | 8-[(3-fluoro-5-methoxyphenyl)sulfamoyl]-2,3-dihydro-1,4-benzodioxine-5-sulfonyl fluoride |
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 | | KLU | | Name: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide | | Formula: | C11 H11 Cl N2 O3 | | SMILES: | ClCC(=O)N1CC(Oc2ccccc21)C(N)=O | | InChi: | InChI=1S/C11H11ClN2O3/c12-5-10(15)14-6-9(11(13)16)17-8-4-2-1-3-7(8)14/h1-4,9H,5-6H2,(H2,13,16)/t9-/m0/s1 | | Definition date: | 2022-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-15 | | Identifier: | (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide |
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 | | V42 | | Name: | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate | | Formula: | C11 H9 N3 O6 S | | SMILES: | Cn1cc(cn1)[S](=O)(=O)Oc2cc(C=O)ccc2[N+]([O-])=O | | InChi: | InChI=1S/C11H9N3O6S/c1-13-6-9(5-12-13)21(18,19)20-11-4-8(7-15)2-3-10(11)14(16)17/h2-7H,1H3 | | Definition date: | 2021-04-12 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate |
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 | | T4Q | | Name: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide | | Formula: | C17 H16 N2 O S2 | | SMILES: | SCCCNC(=O)c1ccccc1Sc2ccccc2C#N | | InChi: | InChI=1S/C17H16N2OS2/c18-12-13-6-1-3-8-15(13)22-16-9-4-2-7-14(16)17(20)19-10-5-11-21/h1-4,6-9,21H,5,10-11H2,(H,19,20) | | Definition date: | 2020-12-15 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-07 | | Identifier: | 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide |
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 | | VYA | | Name: | 2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid | | Formula: | C17 H21 N3 O4 | | SMILES: | CC(C)C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,13,21H,7,9,18H2,1-2H3,(H,22,23)/b14-8-/t13-/m0/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2017-08-09 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-06 | | Identifier: | 2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
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 | | ZCI | | Name: | 2-bromo-1H-imidazole | | Formula: | C3 H3 Br N2 | | SMILES: | Brc1ncc[NH]1 | | InChi: | InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6) | | Definition date: | 2023-06-23 | | Last modified: | 2024-09-27 | | Release date: | 2023-07-12 | | Identifier: | 2-bromo-1H-imidazole |
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 | | V44 | | Name: | S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine | | Formula: | C13 H19 N5 O2 S | | SMILES: | C(=O)(C(N)CSCC(c1nccn1C)c2n(ccn2)C)O | | InChi: | InChI=1S/C13H19N5O2S/c1-17-5-3-15-11(17)9(12-16-4-6-18(12)2)7-21-8-10(14)13(19)20/h3-6,9-10H,7-8,14H2,1-2H3,(H,19,20)/t10-/m0/s1 | | Definition date: | 2020-06-23 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-30 | | Identifier: | S-[2,2-bis(1-methyl-1H-imidazol-2-yl)ethyl]-L-cysteine |
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 | | ZCL | | Name: | 3,4-dichloro-L-phenylalanine | | Formula: | C9 H9 Cl2 N O2 | | SMILES: | Clc1ccc(cc1Cl)CC(C(=O)O)N | | InChi: | InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1 | | Definition date: | 2010-12-29 | | Last modified: | 2024-09-27 | | Identifier: | 3,4-dichloro-L-phenylalanine |
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 | | QQB | | Name: | ~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide | | Formula: | C14 H16 N2 O2 | | SMILES: | N[CH](CNC(O)=O)Cc1cccc2ccccc12 | | InChi: | InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1 | | Definition date: | 2020-07-23 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | [(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid |
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 | | 4KF | | Name: | (2S,3S)-2-{(1R)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid | | Formula: | C17 H25 N O6 | | SMILES: | c1c(OC)cc(cc1CNC(C(C(C(=O)O)C(CC)C)O)=O)OC | | InChi: | InChI=1S/C17H25NO6/c1-5-10(2)14(17(21)22)15(19)16(20)18-9-11-6-12(23-3)8-13(7-11)24-4/h6-8,10,14-15,19H,5,9H2,1-4H3,(H,18,20)(H,21,22)/t10-,14-,15+/m0/s1 | | Definition date: | 2015-03-27 | | Last modified: | 2024-09-27 | | Release date: | 2015-05-27 | | Identifier: | (2S,3S)-2-{(1R)-2-[(3,5-dimethoxybenzyl)amino]-1-hydroxy-2-oxoethyl}-3-methylpentanoic acid |
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 | | UCY | | Name: | (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate | | Formula: | C8 H17 O2 P | | SMILES: | CP(=O)OC1C(C)(CCC1)C | | InChi: | InChI=1S/C8H17O2P/c1-8(2)6-4-5-7(8)10-11(3)9/h7,11H,4-6H2,1-3H3/t7-/m0/s1 | | Synonyms: | 2,2-dimethylcyclopentyl methylphosphinate | | Definition date: | 2020-05-07 | | Last modified: | 2024-09-27 | | Release date: | 2021-02-17 | | Identifier: | (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate |
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 | | V45 | | Name: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide | | Formula: | C23 H30 Cl N3 O5 | | SMILES: | C1(CN(C(O1)=O)C(CC(C)C)C(=O)NC(CC2CCNC2=O)C=O)Cc3cccc(c3)Cl | | InChi: | InChI=1S/C23H30ClN3O5/c1-14(2)8-20(22(30)26-18(13-28)11-16-6-7-25-21(16)29)27-12-19(32-23(27)31)10-15-4-3-5-17(24)9-15/h3-5,9,13-14,16,18-20H,6-8,10-12H2,1-2H3,(H,25,29)(H,26,30)/t16-,18-,19?,20-/m0/s1 | | Definition date: | 2017-07-14 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-13 | | Identifier: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide |
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 | | X8R | | Name: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one | | Formula: | C10 H16 N2 O2 | | SMILES: | CC(=O)N1C2CC3CC1CC(C2)N3O | | InChi: | InChI=1S/C10H16N2O2/c1-6(13)11-7-2-9-4-8(11)5-10(3-7)12(9)14/h7-10,14H,2-5H2,1H3/t7-,8+,9-,10+ | | Definition date: | 2022-11-07 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-15 | | Identifier: | 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one |
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 | | NFT | | Name: | N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE | | Formula: | C22 H29 F3 N4 O3 S | | SMILES: | O=S(=O)(N)c2ccc(c1ccc(cc1)C(NC(C(=O)NCCN)CC(C)C)C(F)(F)F)cc2 | | InChi: | InChI=1S/C22H29F3N4O3S/c1-14(2)13-19(21(30)28-12-11-26)29-20(22(23,24)25)17-5-3-15(4-6-17)16-7-9-18(10-8-16)33(27,31)32/h3-10,14,19-20,29H,11-13,26H2,1-2H3,(H,28,30)(H2,27,31,32)/t19-,20-/m0/s1 | | Definition date: | 2007-03-21 | | Last modified: | 2024-09-27 | | Identifier: | N-(2-aminoethyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4'-sulfamoylbiphenyl-4-yl)ethyl]-L-leucinamide |
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