| WEU | Name: | 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide | Formula: | C11 H14 Cl N3 O2 | SMILES: | CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1 | InChi: | InChI=1S/C11H14ClN3O2/c1-8(16)13-14-11(17)7-15(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17) | Definition date: | 2022-09-06 | Last modified: | 2024-09-27 | Release date: | 2023-09-20 | Identifier: | N'-acetyl-2-[(4-chlorophenyl)(methyl)amino]acetohydrazide (non-preferred name) |
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| V3N | Name: | 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide | Formula: | C14 H17 N O3 | SMILES: | O=Cc1ccc(cc1)C(=O)NCC2CCOCC2 | InChi: | InChI=1S/C14H17NO3/c16-10-12-1-3-13(4-2-12)14(17)15-9-11-5-7-18-8-6-11/h1-4,10-11H,5-9H2,(H,15,17) | Definition date: | 2021-04-09 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide |
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| ZU0 | Name: | O-tert-butyl-L-threonine | Formula: | C8 H17 N O3 | SMILES: | O=C(O)C(N)C(OC(C)(C)C)C | InChi: | InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1 | Definition date: | 2008-12-10 | Last modified: | 2024-09-27 | Identifier: | O-tert-butyl-L-threonine |
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| S9W | Name: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide | Formula: | C25 H30 Br N3 O3 | SMILES: | Brc1ccc(CN2CCN(CC2)Cc3cccc(NC(=O)C4(CCOCC4)C=O)c3)cc1 | InChi: | InChI=1S/C25H30BrN3O3/c26-22-6-4-20(5-7-22)17-28-10-12-29(13-11-28)18-21-2-1-3-23(16-21)27-24(31)25(19-30)8-14-32-15-9-25/h1-7,16,19H,8-15,17-18H2,(H,27,31) | Definition date: | 2020-11-13 | Last modified: | 2024-09-27 | Release date: | 2021-06-30 | Identifier: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-4-methanoyl-oxane-4-carboxamide |
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| 432 | Name: | O-butanoyl-L-serine | Formula: | C7 H13 N O4 | SMILES: | O=C(OCC(C(=O)O)N)CCC | InChi: | InChI=1S/C7H13NO4/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1 | Definition date: | 2015-01-23 | Last modified: | 2024-09-27 | Release date: | 2016-01-27 | Identifier: | O-butanoyl-L-serine |
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| ZU3 | Name: | N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide | Formula: | C32 H49 N5 O7 | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C)CC(C)C)CNC(=O)C(C)(C)C | InChi: | InChI=1S/C32H49N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,20,23-26H,12-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,24+,25-,26-/m0/s1 | Synonyms: | TG-0204998 | Definition date: | 2008-10-30 | Last modified: | 2024-09-27 | Identifier: | N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hexan-2-yl}-L-leucinamide |
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| S9X | Name: | 2-azanyl-2-butyl-hexanal | Formula: | C10 H21 N O2 | SMILES: | CCCCC(N)(CCCC)C(O)=O | InChi: | InChI=1S/C10H21NO2/c1-3-5-7-10(11,9(12)13)8-6-4-2/h3-8,11H2,1-2H3,(H,12,13) | Definition date: | 2022-12-15 | Last modified: | 2024-09-27 | Release date: | 2023-10-11 | Identifier: | 2-azanyl-2-butyl-hexanoic acid |
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| XSR | Name: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium | Formula: | C39 H47 F3 N3 O5 Si | SMILES: | O=C(O)c1c(F)c(F)c(C(=O)NCCOCCOCCCCCC)c(F)c1C=1c2ccc(cc2[Si](C)(C)C2=CC(C=CC=12)=[N+]1/CCC1)N1CCC1 | InChi: | InChI=1S/C39H46F3N3O5Si/c1-4-5-6-7-19-49-21-22-50-20-14-43-38(46)34-35(40)32(33(39(47)48)36(41)37(34)42)31-27-12-10-25(44-15-8-16-44)23-29(27)51(2,3)30-24-26(11-13-28(30)31)45-17-9-18-45/h10-13,23-24H,4-9,14-22H2,1-3H3,(H-,43,46,47,48)/p+1 | Definition date: | 2023-11-09 | Last modified: | 2024-09-27 | Release date: | 2024-06-05 | Identifier: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium |
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| V3Q | Name: | 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide | Formula: | C16 H15 N O3 | SMILES: | COc1cccc(CNC(=O)c2ccc(C=O)cc2)c1 | InChi: | InChI=1S/C16H15NO3/c1-20-15-4-2-3-13(9-15)10-17-16(19)14-7-5-12(11-18)6-8-14/h2-9,11H,10H2,1H3,(H,17,19) | Definition date: | 2021-04-09 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide |
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| WEZ | Name: | N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine | Formula: | C8 H16 N4 O4 | SMILES: | O=CC(N)CCCNC(=N)NC(O)C=O | InChi: | InChI=1S/C8H16N4O4/c9-5(7(15)16)2-1-3-11-8(10)12-6(14)4-13/h4-6,14H,1-3,9H2,(H,15,16)(H3,10,11,12)/t5-,6-/m0/s1 | Definition date: | 2022-09-06 | Last modified: | 2024-09-27 | Release date: | 2023-12-27 | Identifier: | N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine |
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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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| 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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| YQV | Name: | methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate | Formula: | C42 H59 F N6 O6 S | SMILES: | O=S(=O)(c1ccc(cc1)N1CC(CN2CCC(CC2)C(CN2CCC2)(c2cccc(F)c2)C2CCCC2NC(=O)OC)(OC)C1)N1CC2CC1CN2C(=O)CC | InChi: | InChI=1S/C42H59FN6O6S/c1-4-39(50)48-24-35-23-34(48)25-49(35)56(52,53)36-14-12-33(13-15-36)47-27-41(28-47,55-3)26-46-20-16-30(17-21-46)42(29-45-18-7-19-45,31-8-5-9-32(43)22-31)37-10-6-11-38(37)44-40(51)54-2/h5,8-9,12-15,22,30,34-35,37-38H,4,6-7,10-11,16-21,23-29H2,1-3H3,(H,44,51)/t34-,35-,37-,38-,42-/m0/s1 | Definition date: | 2021-03-24 | Last modified: | 2024-09-27 | Release date: | 2021-08-11 | Identifier: | methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate |
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| S9Z | Name: | ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide | Formula: | C25 H30 Br N3 O3 | SMILES: | CCC(CC)(C=O)C(=O)Nc1cccc(c1)C(=O)N2CCN(CC2)Cc3ccc(Br)cc3 | InChi: | InChI=1S/C25H30BrN3O3/c1-3-25(4-2,18-30)24(32)27-22-7-5-6-20(16-22)23(31)29-14-12-28(13-15-29)17-19-8-10-21(26)11-9-19/h5-11,16,18H,3-4,12-15,17H2,1-2H3,(H,27,32) | Definition date: | 2020-11-13 | Last modified: | 2024-09-27 | Release date: | 2021-06-30 | Identifier: | ~{N}-[3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonylphenyl]-2-ethyl-2-methanoyl-butanamide |
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| Y9Z | Name: | 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine | Formula: | C14 H22 N6 O12 P2 | SMILES: | O=P(OCCNC(=O)C)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | InChi: | InChI=1S/C14H22N6O12P2/c1-6(21)16-2-3-29-33(25,26)32-34(27,28)30-4-7-9(22)10(23)13(31-7)20-5-17-8-11(20)18-14(15)19-12(8)24/h5,7,9-10,13,22-23H,2-4H2,1H3,(H,16,21)(H,25,26)(H,27,28)(H3,15,18,19,24)/t7-,9-,10-,13-/m1/s1 | Definition date: | 2013-12-27 | Last modified: | 2024-09-27 | Release date: | 2014-06-04 | Identifier: | 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
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| WWB | Name: | 5-(3-methylbut-2-en-1-yl)-L-tryptophan | Formula: | C16 H20 N2 O2 | SMILES: | O=C(O)C(N)Cc1c[NH]c2ccc(cc21)CC=C(/C)C | InChi: | InChI=1S/C16H20N2O2/c1-10(2)3-4-11-5-6-15-13(7-11)12(9-18-15)8-14(17)16(19)20/h3,5-7,9,14,18H,4,8,17H2,1-2H3,(H,19,20)/t14-/m0/s1 | Definition date: | 2023-10-16 | Last modified: | 2024-09-27 | Release date: | 2024-09-25 | Identifier: | 5-(3-methylbut-2-en-1-yl)-L-tryptophan |
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| WF1 | Name: | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid | Formula: | C12 H24 N2 O7 | SMILES: | C(OCCOCC(O)=O)CNC(COCCOCCN)=O | InChi: | InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17) | Definition date: | 2020-10-23 | Last modified: | 2024-09-27 | Release date: | 2021-08-04 | Identifier: | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid |
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| V3T | Name: | 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide | Formula: | C13 H13 N3 O2 | SMILES: | Cn1ccnc1CNC(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C13H13N3O2/c1-16-7-6-14-12(16)8-15-13(18)11-4-2-10(9-17)3-5-11/h2-7,9H,8H2,1H3,(H,15,18) | Definition date: | 2021-04-09 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide |
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| THZ | Name: | 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine | Formula: | C13 H17 N5 O S | SMILES: | O=C(c1nc2ccccc2s1)C(N)CCCNC(=[N@H])N | InChi: | InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine |
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| SPD | Name: | SPERMIDINE | Formula: | C7 H19 N3 | SMILES: | NCCCNCCCCN | InChi: | InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2 | Synonyms: | N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-(3-aminopropyl)butane-1,4-diamine |
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| SA1 | Name: | (3AR,6R,6AS)-6-((S)-((S)-CYCLOHEX-2-ENYL)(HYDROXY)METHYL)-6A-METHYL-4-OXO-HEXAHYDRO-2H-FURO[3,2-C]PYRROLE-6-CARBALDEHYDE | Formula: | C15 H21 N O4 | SMILES: | O=C1NC(C=O)(C2(OCCC12)C)C(O)C3C=CCCC3 | InChi: | InChI=1S/C15H21NO4/c1-14-11(7-8-20-14)13(19)16-15(14,9-17)12(18)10-5-3-2-4-6-10/h3,5,9-12,18H,2,4,6-8H2,1H3,(H,16,19)/t10-,11+,12+,14+,15-/m1/s1 | Synonyms: | Salinosporamide A, bound form | Definition date: | 2005-12-29 | Last modified: | 2024-09-27 | Identifier: | (3aR,6R,6aS)-6-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-6a-methyl-4-oxohexahydro-2H-furo[2,3-c]pyrrole-6-carbaldehyde |
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| ZBZ | Name: | S-(phenylcarbonyl)-L-cysteine | Formula: | C10 H11 N O3 S | SMILES: | O=C(O)C(N)CSC(=O)c1ccccc1 | InChi: | InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1 | Definition date: | 2010-02-09 | Last modified: | 2024-09-27 | Identifier: | S-benzoyl-L-cysteine |
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| SA2 | Name: | (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE | Formula: | C13 H19 N O9 S | SMILES: | O=C(OCC(S(=O)O)(C(C(=O)O)NC=CC=O)C)CCCC(=O)O | InChi: | InChI=1S/C13H19NO9S/c1-13(24(21)22,11(12(19)20)14-6-3-7-15)8-23-10(18)5-2-4-9(16)17/h3,6-7,11,14H,2,4-5,8H2,1H3,(H,16,17)(H,19,20)(H,21,22)/b6-3+/t11-,13-/m0/s1 | Synonyms: | 4-AZA-5-CARBOXY-6-SULFENATE-6-METHYL-8-OXA-9-OXO-TRIS-2-TRANS-DECENEDIOIC ACID | Definition date: | 2006-06-09 | Last modified: | 2024-09-27 | Identifier: | (3R)-4-[(4-carboxybutanoyl)oxy]-N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine |
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| TWQ | Name: | 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde | Formula: | C13 H16 N2 O4 | SMILES: | CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O | InChi: | InChI=1S/C13H16N2O4/c1-19-11-3-2-6-14(8-11)13-7-10(9-16)4-5-12(13)15(17)18/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1 | Definition date: | 2021-01-14 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde |
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| YA4 | Name: | [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid | Formula: | C5 H11 O6 P S | SMILES: | O[CH]1CO[CH](CO[P](O)(S)=O)[CH]1O | InChi: | InChI=1S/C5H11O6PS/c6-3-1-10-4(5(3)7)2-11-12(8,9)13/h3-7H,1-2H2,(H2,8,9,13)/t3-,4+,5-/m0/s1 | Definition date: | 2021-02-12 | Last modified: | 2024-09-27 | Release date: | 2021-08-04 | Identifier: | [(2~{R},3~{S},4~{S})-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
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