 | | VOY | | Name: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide | | Formula: | C31 H30 N8 O3 | | SMILES: | CCOc2cc1ncc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(c(cc3)Oc5cc4ncnn4cc5)C)C#N | | InChi: | InChI=1S/C31H30N8O3/c1-5-41-28-16-25-24(15-26(28)37-30(40)7-6-11-38(3)4)31(21(17-32)18-33-25)36-22-8-9-27(20(2)13-22)42-23-10-12-39-29(14-23)34-19-35-39/h6-10,12-16,18-19H,5,11H2,1-4H3,(H,33,36)(H,37,40)/b7-6+ | | Definition date: | 2020-08-31 | | Last modified: | 2024-09-27 | | Release date: | 2021-09-08 | | Identifier: | (2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide |
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 | | RM9 | | Name: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid | | Formula: | C10 H8 B F O4 | | SMILES: | B1(Oc3c(C(O)=O)c(ccc3C2C1C2)F)O | | InChi: | InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1 | | Definition date: | 2019-11-24 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-25 | | Identifier: | (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid |
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 | | XYC | | Name: | (2~{S})-2-azanyl-3-cyclopentyl-propanoic acid | | Formula: | C8 H15 N O2 | | SMILES: | N[CH](CC1CCCC1)C(O)=O | | InChi: | InChI=1S/C8H15NO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1 | | Definition date: | 2016-06-10 | | Last modified: | 2024-09-27 | | Release date: | 2017-05-31 | | Identifier: | (2~{S})-2-azanyl-3-cyclopentyl-propanoic acid |
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 | | X2F | | Name: | 2-deoxy-2-fluoro-alpha-D-xylopyranose | | Formula: | C5 H9 F O4 | | SMILES: | FC1C(O)C(O)COC1O | | InChi: | InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5+/m1/s1 | | Synonyms: | 2-DEOXY-2-FLUORO XYLOPYRANOSE | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-deoxy-2-fluoro-alpha-D-xylopyranose |
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 | | S0Q | | Name: | 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid | | Formula: | C17 H20 B N3 O7 | | SMILES: | CN1CCN(CC1=O)C(=O)CNC(=O)c2ccc3[CH](CC(O)=O)OB(O)c3c2 | | InChi: | InChI=1S/C17H20BN3O7/c1-20-4-5-21(9-15(20)23)14(22)8-19-17(26)10-2-3-11-12(6-10)18(27)28-13(11)7-16(24)25/h2-3,6,13,27H,4-5,7-9H2,1H3,(H,19,26)(H,24,25)/t13-/m0/s1 | | Synonyms: | 2-[(3S)-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid | | Definition date: | 2020-11-04 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-11 | | Identifier: | 2-[(3~{S})-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid |
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 | | XYF | | Name: | 5(R)-fluoro-beta-D-xylopyranose | | Formula: | C5 H8 F O5 | | SMILES: | [O-]C1OC(F)C(O)C(O)C1O | | InChi: | InChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5?/m0/s1 | | Synonyms: | 5(R)-fluoro-beta-D-xylose | | Definition date: | 2004-10-23 | | Last modified: | 2024-09-27 | | Identifier: | (2R,3R,4R,5S,6R)-6-fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate (non-preferred name) |
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 | | S0R | | Name: | (2S)-2-benzamido-4-methyl-pentanoic acid | | Formula: | C13 H17 N O3 | | SMILES: | CC(C)C[CH](NC(=O)c1ccccc1)C(O)=O | | InChi: | InChI=1S/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1 | | Definition date: | 2023-04-07 | | Last modified: | 2024-09-27 | | Release date: | 2023-04-19 | | Identifier: | (2~{S})-2-benzamido-4-methyl-pentanoic acid |
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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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 | | XHR | | Name: | (1R,2R,3R,4S)-4-[8-(azanyldiazenyl)octylamino]-3-(hydroxymethyl)cyclopentane-1,2-diol | | Formula: | C14 H30 N4 O3 | | SMILES: | NN=NCCCCCCCCN[CH]1C[CH](O)[CH](O)[CH]1CO | | InChi: | InChI=1S/C14H30N4O3/c15-18-17-8-6-4-2-1-3-5-7-16-12-9-13(20)14(21)11(12)10-19/h11-14,16,19-21H,1-10H2,(H2,15,17)/t11-,12-,13+,14+/m0/s1 | | Definition date: | 2023-11-02 | | Last modified: | 2024-09-27 | | Release date: | 2024-10-02 | | Identifier: | (1~{R},2~{R},3~{R},4~{S})-4-[8-(azanyldiazenyl)octylamino]-3-(hydroxymethyl)cyclopentane-1,2-diol |
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 | | UU5 | | Name: | (2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid | | Formula: | C6 H10 N2 O4 | | SMILES: | O=C(O)C(N)CCNC(=O)C=O | | InChi: | InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-8-5(10)3-9/h3-4H,1-2,7H2,(H,8,10)(H,11,12)/t4-/m0/s1 | | Definition date: | 2012-11-12 | | Last modified: | 2024-09-27 | | Release date: | 2013-08-21 | | Identifier: | (2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid |
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 | | UG8 | | Name: | 4-piperidin-1-ylsulfonylbenzaldehyde | | Formula: | C12 H15 N O3 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCCC2 | | InChi: | InChI=1S/C12H15NO3S/c14-10-11-4-6-12(7-5-11)17(15,16)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2 | | Definition date: | 2021-02-16 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-piperidin-1-ylsulfonylbenzaldehyde |
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 | | YV2 | | Name: | (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name) | | Formula: | C57 H76 N8 O7 | | SMILES: | CN(C)C(C)(C)/C=C/C(=O)N1CCC2(C1)CCN(C2=O)C(C(C)C)C(=O)NC1Cc2cccc(c2)c2ccc3c(c2)c(CC(C)(C)COC(=O)C2CCCN(N2)C1=O)c(n3CC)c1cccnc1C(C)OC | | InChi: | InChI=1S/C57H76N8O7/c1-12-63-46-21-20-40-32-42(46)43(50(63)41-18-14-26-58-48(41)37(4)71-11)33-55(5,6)35-72-53(69)44-19-15-27-65(60-44)52(68)45(31-38-16-13-17-39(40)30-38)59-51(67)49(36(2)3)64-29-25-57(54(64)70)24-28-62(34-57)47(66)22-23-56(7,8)61(9)10/h13-14,16-18,20-23,26,30,32,36-37,44-45,49,60H,12,15,19,24-25,27-29,31,33-35H2,1-11H3,(H,59,67)/b23-22+/t37-,44-,45-,49-,57-/m0/s1 | | Definition date: | 2023-02-22 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-16 | | Identifier: | (2S)-2-{(5S)-7-[(2E)-4-(dimethylamino)-4-methylpent-2-enoyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(1P,8S,10R,14S,21M)-22-ethyl-21-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]-3-methylbutanamide (non-preferred name) |
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 | | RMD | | Name: | [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium | | Formula: | C19 H24 N O2 Rh | | SMILES: | O=C1N(C(=O)CC1)CCC2%10C7C8C9C2[Rh]789%10456C3CCC6C5CCC34 | | InChi: | InChI=1S/C11H12NO2.C8H12.Rh/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9 | | Definition date: | 2013-10-18 | | Last modified: | 2024-09-27 | | Release date: | 2014-04-09 | | Identifier: | [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium |
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 | | X2I | | Name: | (15,16)-DIHYDROBILIVERDIN (SINGLY LINKED) | | Formula: | C33 H40 N4 O6 | | SMILES: | O=C(O)CCc1c(C)c(/C=C2NC(=O)C(C)=C2CC)[NH]c1Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1CCC(=O)O | | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,14,26,34-35H,2,7,9-13,15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-/t26-/m1/s1 | | Synonyms: | 3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid | | Definition date: | 2023-10-19 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-25 | | Identifier: | 3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid |
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 | | YFZ | | Name: | (-)-Galantinic acid | | Formula: | C7 H15 N O5 | | SMILES: | N[CH](CO)[CH](O)C[CH](O)CC(O)=O | | InChi: | InChI=1S/C7H15NO5/c8-5(3-9)6(11)1-4(10)2-7(12)13/h4-6,9-11H,1-3,8H2,(H,12,13)/t4-,5-,6-/m0/s1 | | Synonyms: | (3S,5S,6S)-6-azanyl-3,5,7-tris(oxidanyl)heptanoic acid | | Definition date: | 2023-12-04 | | Last modified: | 2024-09-27 | | Release date: | 2024-07-24 | | Identifier: | (3~{S},5~{S},6~{S})-6-azanyl-3,5,7-tris(oxidanyl)heptanoic acid |
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 | | VAD | | Name: | DEAMINOHYDROXYVALINE | | Formula: | C5 H10 O3 | | SMILES: | O=C(O)C(O)C(C)C | | InChi: | InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-hydroxy-3-methylbutanoic acid |
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 | | QTU | | Name: | 3-(thiophen-2-yl)propanoic acid | | Formula: | C7 H8 O2 S | | SMILES: | C(CCc1cccs1)(=O)O | | InChi: | InChI=1S/C7H8O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9) | | Definition date: | 2020-09-13 | | Last modified: | 2024-09-27 | | Release date: | 2021-10-06 | | Identifier: | 3-(thiophen-2-yl)propanoic acid |
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 | | ZZU | | Name: | (2S,3S)-3-HYDROXYARGININE | | Formula: | C6 H14 N4 O3 | | SMILES: | O=C(O)C(N)C(O)CCNC(=[N@H])N | | InChi: | InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1 | | Definition date: | 2009-03-02 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name) |
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 | | YV6 | | Name: | methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate | | Formula: | C24 H36 N4 O6 S | | SMILES: | O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(=O)CCCS)C(C)C | | InChi: | InChI=1S/C24H36N4O6S/c1-15(2)21(26-20(30)10-6-12-35)22(31)25-19(14-16-7-4-8-17(29)13-16)23(32)28-11-5-9-18(27-28)24(33)34-3/h4,7-8,13,15,18-19,21,27,29,35H,5-6,9-12,14H2,1-3H3,(H,25,31)(H,26,30)/t18-,19-,21-/m0/s1 | | Definition date: | 2023-02-22 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-16 | | Identifier: | methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate |
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 | | ODC | | Name: | 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide | | Formula: | C19 H26 Cl2 N2 O3 | | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)CCl)CC2 | | InChi: | InChI=1S/C19H26Cl2N2O3/c1-19(2,26-16-5-3-15(21)4-6-16)18(25)23-11-8-14(9-12-23)7-10-22-17(24)13-20/h3-6,14H,7-13H2,1-2H3,(H,22,24) | | Definition date: | 2022-09-05 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-20 | | Identifier: | 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide |
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 | | YV7 | | Name: | D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide | | Formula: | C29 H37 F N4 O5 | | SMILES: | Fc1ccc(cc1)CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC | | InChi: | InChI=1S/C29H37FN4O5/c1-2-39-26(35)13-12-23(18-21-14-15-32-27(21)36)33-29(38)25(17-20-8-10-22(30)11-9-20)34-28(37)24(31)16-19-6-4-3-5-7-19/h3-11,21,23-25H,2,12-18,31H2,1H3,(H,32,36)(H,33,38)(H,34,37)/t21-,23+,24+,25-/m0/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2022-10-12 | | Identifier: | D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide |
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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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 | | 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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 | | S0Z | | Name: | methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate | | Formula: | C17 H16 B N O5 | | SMILES: | COC(=O)[CH](NC(=O)c1ccc2COB(O)c2c1)c3ccccc3 | | InChi: | InChI=1S/C17H16BNO5/c1-23-17(21)15(11-5-3-2-4-6-11)19-16(20)12-7-8-13-10-24-18(22)14(13)9-12/h2-9,15,22H,10H2,1H3,(H,19,20)/t15-/m1/s1 | | Synonyms: | methyl (2R)-2-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate | | Definition date: | 2020-11-04 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-11 | | Identifier: | methyl (2~{R})-2-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate |
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 | | UGE | | Name: | 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde | | Formula: | C16 H15 N O3 S | | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23 | | InChi: | InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2 | | Definition date: | 2021-02-16 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde |
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