 | | OIL | | Name: | (2S,3S)-2-hydroxy-3-methylpentanoic acid | | Formula: | C6 H12 O3 | | SMILES: | O=C(O)C(O)C(C)CC | | InChi: | InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 | | Definition date: | 2011-01-13 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S)-2-hydroxy-3-methylpentanoic acid |
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 | | 8RC | | Name: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin
e-2-carboxamide | | Formula: | C30 H42 N8 O3 | | SMILES: | CCc1nc(C(N)=O)c(Nc2ccc(cc2)N3CCC(CC3)N4CCN(C)CC4)nc1O[CH]5CCN(C5)C(=O)C=C | | InChi: | InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1 | | Synonyms: | Naquotinib | | Definition date: | 2017-08-31 | | Last modified: | 2024-09-27 | | Release date: | 2018-07-11 | | Identifier: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3~{R})-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazine-2-carboxamide |
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 | | OYU | | Name: | ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate | | Formula: | C7 H15 N O3 | | SMILES: | CC(C)(C)OC(=O)NCCO | | InChi: | InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10) | | Definition date: | 2022-09-28 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-27 | | Identifier: | ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate |
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 | | OIM | | Name: | [(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | Formula: | C21 H26 N4 O6 | | SMILES: | O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)C(C)CC | | InChi: | InChI=1S/C21H26N4O6/c1-4-11(2)18(22)21(30)24-17(12(3)31-21)19-23-15(20(29)25(19)10-16(27)28)9-13-5-7-14(26)8-6-13/h5-9,11-12,18,26,30H,4,10,22H2,1-3H3,(H,27,28)/b15-9-/t11-,12+,18-,21+/m0/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2014-04-30 | | Last modified: | 2024-09-27 | | Release date: | 2014-07-08 | | Identifier: | [(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | OYV | | Name: | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol | | Formula: | C14 H20 N2 O7 | | SMILES: | C(=O)([C@H]=[C@H]C=1C(=O)NC(NC=1CCC(C(C(O)CO)O)O)=O)C | | InChi: | InChI=1S/C14H20N2O7/c1-7(18)2-3-8-9(15-14(23)16-13(8)22)4-5-10(19)12(21)11(20)6-17/h2-3,10-12,17,19-21H,4-6H2,1H3,(H2,15,16,22,23)/b3-2+/t10-,11+,12-/m0/s1 | | Definition date: | 2019-07-19 | | Last modified: | 2024-09-27 | | Release date: | 2020-02-19 | | Identifier: | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol |
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 | | TTS | | Name: | 3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE | | Formula: | C17 H18 N2 O5 | | SMILES: | O=C2C=C(O)/C(=N/CCc1ccc(O)cc1)C=C2CC(C(=O)O)N | | InChi: | InChI=1S/C17H18N2O5/c18-13(17(23)24)7-11-8-14(16(22)9-15(11)21)19-6-5-10-1-3-12(20)4-2-10/h1-4,8-9,13,20,22H,5-7,18H2,(H,23,24)/b19-14+/t13-/m0/s1 | | Definition date: | 2005-09-06 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(3E)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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 | | 8RE | | Name: | 3,4-dihydroxylysine | | Formula: | C6 H14 N2 O4 | | SMILES: | NCC[CH](O)[CH](O)[CH](N)C(O)=O | | InChi: | InChI=1S/C6H14N2O4/c7-2-1-3(9)5(10)4(8)6(11)12/h3-5,9-10H,1-2,7-8H2,(H,11,12)/t3-,4-,5-/m0/s1 | | Definition date: | 2017-02-28 | | Last modified: | 2024-09-27 | | Release date: | 2018-03-14 | | Identifier: | (2~{S},3~{R},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid |
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 | | QL9 | | Name: | 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide | | Formula: | C11 H12 Br N O2 S | | SMILES: | CN(CCS)C(=O)c1ccc(C=O)c(Br)c1 | | InChi: | InChI=1S/C11H12BrNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3 | | Definition date: | 2022-11-08 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-29 | | Identifier: | 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
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 | | SL1 | | Name: | N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]-2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4-BENZODIAZEPIN-1-YL}ACETAMIDE | | Formula: | C30 H33 N7 O5 S | | SMILES: | O=CC(NC(=O)CN1C(=O)C(N=C(c2ccccc12)c3ccccc3)NS(=O)(=O)Cc4ccccc4)CCCNC(=[N@H])N | | InChi: | InChI=1S/C30H33N7O5S/c31-30(32)33-17-9-14-23(19-38)34-26(39)18-37-25-16-8-7-15-24(25)27(22-12-5-2-6-13-22)35-28(29(37)40)36-43(41,42)20-21-10-3-1-4-11-21/h1-8,10-13,15-16,19,23,28,36H,9,14,17-18,20H2,(H,34,39)(H4,31,32,33)/t23-,28+/m0/s1 | | Definition date: | 2004-06-15 | | Last modified: | 2024-09-27 | | Identifier: | 2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}-N-[(1S)-4-carbamimidamido-1-formylbutyl]acetamide |
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 | | PCJ | | Name: | (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE | | Formula: | C54 H105 N O6 S | | SMILES: | O=C(OC(CSCC(NC(=O)CCCCCCCCCCCCCCC)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C54H105NO6S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-52(57)55-50(46-56)48-62-49-51(61-54(59)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-60-53(58)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h50-51,56H,4-49H2,1-3H3,(H,55,57)/t50-,51+/m0/s1 | | Definition date: | 2007-09-19 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-3-{[(2S)-2-(hexadecanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl dihexadecanoate |
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 | | TEB | | Name: | (4R,5S)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1H-pyrrole-2-carboxylic acid | | Formula: | C16 H23 N3 O4 S2 | | SMILES: | O=C(O)C=3NC(C(C=O)C(O)C)C(C=3SC2CN(C1=NCCS1)C2)C | | InChi: | InChI=1S/C16H23N3O4S2/c1-8-12(11(7-20)9(2)21)18-13(15(22)23)14(8)25-10-5-19(6-10)16-17-3-4-24-16/h7-12,18,21H,3-6H2,1-2H3,(H,22,23)/t8-,9-,11-,12-/m1/s1 | | Synonyms: | Tebipenem (open form) | | Definition date: | 2007-11-04 | | Last modified: | 2024-09-27 | | Identifier: | (4R,5S)-3-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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 | | OZ0 | | Name: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid | | Formula: | C11 H16 B N O6 S | | SMILES: | O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O | | InChi: | InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m1/s1 | | Definition date: | 2022-05-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-05 | | Identifier: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid |
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 | | MVU | | Name: | 2-chloranyl-N-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide | | Formula: | C21 H30 Cl N3 O2 | | SMILES: | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCCC2)Nc3ccccc3 | | InChi: | InChI=1S/C21H31N3O2/c1-17(25)22-16-18-10-14-24(15-11-18)20(26)21(12-6-3-7-13-21)23-19-8-4-2-5-9-19/h2,4-5,8-9,18,23H,3,6-7,10-16H2,1H3,(H,22,25) | | Definition date: | 2022-08-04 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-20 | | Identifier: | 2-chloranyl-~{N}-[[1-(1-phenylazanylcyclohexyl)carbonylpiperidin-4-yl]methyl]ethanamide |
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 | | TEE | | Name: | 2-AMINO-ETHENETHIOL | | Formula: | C2 H5 N S | | SMILES: | S/C=CN | | InChi: | InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1- | | Synonyms: | 2-THIOETHENAMINE | | Definition date: | 2002-10-04 | | Last modified: | 2024-09-27 | | Identifier: | (Z)-2-aminoethenethiol |
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 | | PCM | | Name: | 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N | | Formula: | C32 H42 N4 O7 | | SMILES: | O=C(N2CC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C2)C(NC(=O)OCc3ccccc3)CC(C)C | | InChi: | InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N~2~-[(benzyloxy)carbonyl]-N-[(3R)-1-{N-[(benzyloxy)carbonyl]-L-leucyl}-4-oxopyrrolidin-3-yl]-L-leucinamide |
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 | | PCN | | Name: | 2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID | | Formula: | C14 H19 N5 O5 S2 | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)/C(=NOC)c2nc(sc2)N | | InChi: | InChI=1S/C14H19N5O5S2/c1-14(2)9(12(22)23)18-11(26-14)6(4-20)16-10(21)8(19-24-3)7-5-25-13(15)17-7/h4-6,9,11,18H,1-3H3,(H2,15,17)(H,16,21)(H,22,23)/b19-8-/t6-,9+,11-/m1/s1 | | Definition date: | 2002-05-07 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | SL5 | | Name: | (2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid | | Formula: | C8 H15 N O5 | | SMILES: | O=C(O)C1NC(OC1C)COCCO | | InChi: | InChI=1S/C8H15NO4.H2O/c1-3-12-4-6-9-7(8(10)11)5(2)13-6 | | Definition date: | 2012-06-06 | | Last modified: | 2024-09-27 | | Release date: | 2013-06-26 | | Identifier: | (2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid |
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 | | OZ3 | | Name: | 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine | | Formula: | C9 H12 N3 | | SMILES: | NCc1ccc2C(=[NH+]Cc2c1)N | | InChi: | InChI=1S/C9H11N3/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,4-5,10H2,(H2,11,12)/p+1 | | Definition date: | 2022-09-28 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-04 | | Identifier: | 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine |
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 | | OIW | | Name: | (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol | | Formula: | C6 H10 O4 | | SMILES: | O[CH]1C=C[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m0/s1 | | Synonyms: | D-carbaxylosyl chloride | | Definition date: | 2022-09-08 | | Last modified: | 2024-09-27 | | Release date: | 2024-03-13 | | Identifier: | (1~{S},2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol |
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 | | QLG | | Name: | [(4Z)-2-[(1Z)-4-AMINO-4-OXOBUTANIMIDOYL]-4-(2-METHYLPROPYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | | Formula: | C13 H18 N4 O4 | | SMILES: | O=C(N)CCC(=[N@H])C1=N/C(C(=O)N1CC(=O)O)=C/C(C)C | | InChi: | InChI=1S/C13H18N4O4/c1-7(2)5-9-13(21)17(6-11(19)20)12(16-9)8(14)3-4-10(15)18/h5,7,14H,3-4,6H2,1-2H3,(H2,15,18)(H,19,20)/b9-5+,14-8- | | Synonyms: | CHROMOPHORE (GLN-LEU-GLY) | | Definition date: | 2006-09-14 | | Last modified: | 2024-09-27 | | Identifier: | [(4E)-2-[(1Z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | Q78 | | Name: | L-3-Thienylalanine | | Formula: | C7 H9 N O2 S | | SMILES: | N[CH](Cc1cscc1)C(O)=O | | InChi: | InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-thiophen-3-yl-propanoic acid | | Definition date: | 2020-05-26 | | Last modified: | 2024-09-27 | | Release date: | 2021-04-28 | | Identifier: | (2~{S})-2-azanyl-3-thiophen-3-yl-propanoic acid |
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 | | 8RQ | | Name: | ~{N}4-[(4-chlorophenyl)methyl]-~{N}1-(cyclohexylmethyl)-~{N}4-cyclopentyl-~{N}1-[(~{Z})-4-[(~{E})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide | | Formula: | C33 H46 Cl N3 O5 S2 | | SMILES: | CN=CC(CCCN(CC1CCCCC1)[S](=O)(=O)c2ccc(cc2)[S](=O)(=O)N(Cc3ccc(Cl)cc3)C4CCCC4)=C(C)O | | InChi: | InChI=1S/C33H46ClN3O5S2/c1-26(38)29(23-35-2)11-8-22-36(24-27-9-4-3-5-10-27)43(39,40)32-18-20-33(21-19-32)44(41,42)37(31-12-6-7-13-31)25-28-14-16-30(34)17-15-28/h14-21,23,27,31,38H,3-13,22,24-25H2,1-2H3/b29-26-,35-23+ | | Definition date: | 2017-02-28 | | Last modified: | 2024-09-27 | | Release date: | 2017-05-10 | | Identifier: | ~{N}4-[(4-chlorophenyl)methyl]-~{N}1-(cyclohexylmethyl)-~{N}4-cyclopentyl-~{N}1-[(~{Z})-4-[(~{E})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide |
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 | | SLA | | Name: | Omuralide, open form | | Formula: | C10 H17 N O4 | | SMILES: | O=CC1(NC(=O)C(C1O)C)C(O)C(C)C | | InChi: | InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1 | | Synonyms: | (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde | | Definition date: | 2011-06-04 | | Last modified: | 2024-09-27 | | Identifier: | (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde |
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 | | Q7C | | Name: | N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide | | Formula: | C9 H16 N2 O4 S | | SMILES: | O=S1(=O)CCC(C1)N(CCC(N)=O)C(C)=O | | InChi: | InChI=1S/C9H16N2O4S/c1-7(12)11(4-2-9(10)13)8-3-5-16(14,15)6-8/h8H,2-6H2,1H3,(H2,10,13)/t8-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-08 | | Identifier: | N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide |
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 | | OZ9 | | Name: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid | | Formula: | C11 H16 B N O6 S | | SMILES: | O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O | | InChi: | InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m0/s1 | | Definition date: | 2022-05-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-05 | | Identifier: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid |
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