 | | X9Z | | Name: | (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C27 H40 F3 N5 O6 | | SMILES: | CC1(C)C2C(C(=O)NC(CN3CCCC3=O)C(O)C(=O)N3CCC3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C | | InChi: | InChI=1S/C27H40F3N5O6/c1-25(2,3)20(32-24(41)27(28,29)30)23(40)35-12-14-17(26(14,4)5)18(35)21(38)31-15(13-34-9-6-8-16(34)36)19(37)22(39)33-10-7-11-33/h14-15,17-20,37H,6-13H2,1-5H3,(H,31,38)(H,32,41)/t14-,15-,17-,18-,19+,20+/m0/s1 | | Definition date: | 2022-11-08 | | Last modified: | 2024-09-27 | | Release date: | 2023-10-11 | | Identifier: | (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | SMZ | | Name: | N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine | | Formula: | C7 H15 N3 O2 S | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])SC | | InChi: | InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1 | | Synonyms: | S-methyl-L-thiocitrulline | | Definition date: | 2008-01-15 | | Last modified: | 2024-09-27 | | Identifier: | N~5~-[(Z)-imino(methylsulfanyl)methyl]-L-ornithine |
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 | | UMP | | Name: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | | Formula: | C9 H13 N2 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O | | InChi: | InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Synonyms: | DUMP | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2'-deoxy-5'-uridylic acid |
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 | | ITZ | | Name: | 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid | | Formula: | C9 H14 N2 O2 S | | SMILES: | NC(c1nc(C(=O)O)cs1)C(CC)C | | InChi: | InChI=1S/C9H14N2O2S/c1-3-5(2)7(10)8-11-6(4-14-8)9(12)13/h4-5,7H,3,10H2,1-2H3,(H,12,13)/t5-,7-/m0/s1 | | Definition date: | 2019-12-04 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-02 | | Identifier: | 2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid |
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 | | V1E | | Name: | ~{N},~{N},4-trimethylbenzenesulfonamide | | Formula: | C9 H13 N O2 S | | SMILES: | CN(C)[S](=O)(=O)c1ccc(C)cc1 | | InChi: | InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3 | | Definition date: | 2021-04-06 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | ~{N},~{N},4-trimethylbenzenesulfonamide |
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 | | S7N | | Name: | (phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate | | Formula: | C22 H33 N3 O5 S | | SMILES: | CSCC[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(C)=O | | InChi: | InChI=1S/C22H33N3O5S/c1-14(2)19(25-22(29)30-13-17-9-7-6-8-10-17)21(28)23-15(3)20(27)24-18(16(4)26)11-12-31-5/h6-10,14-15,18-19H,11-13H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/t15-,18-,19+/m0/s1 | | Synonyms: | Z-VAM-FMK | | Definition date: | 2020-11-10 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-28 | | Identifier: | (phenylmethyl) ~{N}-[(2~{R})-3-methyl-1-[[(2~{S})-1-[[(3~{S})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate |
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 | | T13 | | Name: | 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide | | Formula: | C13 H7 F6 N O3 S | | SMILES: | Fc1cc(ccc1OC)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F | | InChi: | InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3 | | Definition date: | 2009-05-28 | | Last modified: | 2024-09-27 | | Identifier: | 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide |
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 | | TFR | | Name: | (2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid | | Formula: | C11 H19 F3 N2 O4 | | SMILES: | FC(F)(F)C(O)C(NC(=O)CCCCC(C(=O)O)N)C | | InChi: | InChI=1S/C11H19F3N2O4/c1-6(9(18)11(12,13)14)16-8(17)5-3-2-4-7(15)10(19)20/h6-7,9,18H,2-5,15H2,1H3,(H,16,17)(H,19,20)/t6-,7-,9+/m1/s1 | | Definition date: | 2012-11-23 | | Last modified: | 2024-09-27 | | Release date: | 2013-03-27 | | Identifier: | (2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid |
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 | | Z7Z | | Name: | biphenyl-4-carboxylic acid | | Formula: | C13 H10 O2 | | SMILES: | O=C(O)c2ccc(c1ccccc1)cc2 | | InChi: | InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15) | | Definition date: | 2012-12-17 | | Last modified: | 2024-09-27 | | Release date: | 2021-09-01 | | Identifier: | biphenyl-4-carboxylic acid |
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 | | IU | | Name: | 5-IODOURIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H12 I N2 O9 P | | SMILES: | IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H12IN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 | | Definition date: | 2005-05-31 | | Last modified: | 2024-09-27 | | Identifier: | 5-iodouridine 5'-(dihydrogen phosphate) |
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 | | XPR | | Name: | (2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid | | Formula: | C9 H15 N O6 S | | SMILES: | O=S(=O)(O)OC1CCC2CC(C(=O)O)NC2C1 | | InChi: | InChI=1S/C9H15NO6S/c11-9(12)8-3-5-1-2-6(4-7(5)10-8)16-17(13,14)15/h5-8,10H,1-4H2,(H,11,12)(H,13,14,15)/t5-,6+,7-,8-/m0/s1 | | Definition date: | 2010-11-05 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid |
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 | | WCJ | | Name: | N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide | | Formula: | C28 H26 F N7 O2 | | SMILES: | CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)c(F)c1 | | InChi: | InChI=1S/C28H26FN7O2/c1-15(2)27(37)35-19-8-5-17(6-9-19)24-22(23-25(30)32-14-33-26(23)36(24)4)18-7-10-21(20(29)13-18)38-28-31-12-11-16(3)34-28/h5-15H,1-4H3,(H,35,37)(H2,30,32,33) | | Definition date: | 2023-05-11 | | Last modified: | 2024-09-27 | | Release date: | 2023-06-07 | | Identifier: | N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide |
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 | | S7Q | | Name: | (phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate | | Formula: | C22 H33 N3 O5 S | | SMILES: | CSCC[CH](NC(=O)[CH](C)NC(=O)[CH](NC(=O)OCc1ccccc1)C(C)C)C(C)=O | | InChi: | InChI=1S/C22H33N3O5S/c1-14(2)19(25-22(29)30-13-17-9-7-6-8-10-17)21(28)23-15(3)20(27)24-18(16(4)26)11-12-31-5/h6-10,14-15,18-19H,11-13H2,1-5H3,(H,23,28)(H,24,27)(H,25,29)/t15-,18-,19+/m1/s1 | | Synonyms: | zVAM.fmk | | Definition date: | 2020-11-10 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-28 | | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-[[(2~{R})-1-[[(3~{R})-1-methylsulfanyl-4-oxidanylidene-pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate |
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 | | ZRF | | Name: | 2-[(4E)-2-[(1S)-1-aminoethyl]-4-(hydroxymethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | Formula: | C8 H11 N3 O4 | | SMILES: | C[CH](N)C1=NC(=CO)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C8H11N3O4/c1-4(9)7-10-5(3-12)8(15)11(7)2-6(13)14/h3-4,12H,2,9H2,1H3,(H,13,14)/b5-3+/t4-/m0/s1 | | Synonyms: | 2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-06-26 | | Identifier: | 2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid |
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 | | VHF | | Name: | (2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid | | Formula: | C5 H10 N O7 P | | SMILES: | N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O | | InChi: | InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1 | | Definition date: | 2023-03-06 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-15 | | Identifier: | (2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid |
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 | | V1H | | Name: | 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine | | Formula: | C11 H15 N O3 S | | SMILES: | COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12-7-10(8-12)15-2/h3-6,10H,7-8H2,1-2H3 | | Definition date: | 2021-04-06 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine |
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 | | T16 | | Name: | BOROLOG2 | | Formula: | C23 H32 B Br2 N3 O6 | | SMILES: | O=C(NC(B(O)O)CCC(Br)Br)C2N(C(=O)C(NC(=O)CCCC=O)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C23H32BBr2N3O6/c25-20(26)12-11-19(24(34)35)28-22(32)18-9-6-13-29(18)23(33)17(15-16-7-2-1-3-8-16)27-21(31)10-4-5-14-30/h1-3,7-8,14,17-20,34-35H,4-6,9-13,15H2,(H,27,31)(H,28,32)/t17-,18-,19-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-(5-oxopentanoyl)-L-phenylalanyl-N-[(1R)-4,4-dibromo-1-(dihydroxyboranyl)butyl]-L-prolinamide |
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 | | Z82 | | Name: | 4-bromobenzoic acid | | Formula: | C7 H5 Br O2 | | SMILES: | OC(=O)c1ccc(Br)cc1 | | InChi: | InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) | | Definition date: | 2010-01-26 | | Last modified: | 2024-09-27 | | Identifier: | 4-bromobenzoic acid |
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 | | T17 | | Name: | {[4-(1-{3-[(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]propyl}-1H-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid | | Formula: | C42 H68 N6 O13 | | SMILES: | O=C(O)CNC(=O)CCCc1nnn(c1)CCCN3C(=O)OC4(C(OC(=O)C(C(=O)C(C(OC2OC(C)CC(N(C)C)C2O)C(OC)(C)CC(C(=O)C(C)C34)C)C)C)CC)C | | InChi: | InChI=1S/C42H68N6O13/c1-12-30-42(8)36(48(40(56)61-42)18-14-17-47-22-28(44-45-47)15-13-16-31(49)43-21-32(50)51)25(4)33(52)23(2)20-41(7,57-11)37(26(5)34(53)27(6)38(55)59-30)60-39-35(54)29(46(9)10)19-24(3)58-39/h22-27,29-30,35-37,39,54H,12-21H2,1-11H3,(H,43,49)(H,50,51)/t23-,24-,25+,26+,27-,29+,30-,35-,36-,37-,39+,41-,42-/m1/s1 | | Definition date: | 2014-05-10 | | Last modified: | 2024-09-27 | | Release date: | 2014-10-01 | | Identifier: | {[4-(1-{3-[(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]propyl}-1H-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid (non-preferred name) |
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 | | WCM | | Name: | (2S)-2-amino-3-(biphenyl-4-yl)-N-methyl-N-[(2S)-1-oxopropan-2-yl]propanamide (non-preferred name) | | Formula: | C19 H22 N2 O3 | | SMILES: | C(C(Cc2ccc(c1ccccc1)cc2)N)(N(C(C)C(O)=O)C)=O | | InChi: | InChI=1S/C19H22N2O3/c1-13(19(23)24)21(2)18(22)17(20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17H,12,20H2,1-2H3,(H,23,24)/t13-,17-/m0/s1 | | Definition date: | 2020-10-13 | | Last modified: | 2024-09-27 | | Release date: | 2021-11-10 | | Identifier: | (2S)-2-{[(2S)-2-amino-3-(biphenyl-4-yl)propanoyl](methyl)amino}propanoic acid (non-preferred name) |
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 | | VHG | | Name: | 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | | Formula: | C33 H40 N4 O6 | | SMILES: | CCC1=C(Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C)NC(=O)[CH]1C | | 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/h8,19,34-35H,2,7,9-15H2,1,3-6H3,(H,37,42)(H,38,39)(H,40,41)/t19-/m0/s1 | | Definition date: | 2020-08-12 | | Last modified: | 2024-09-27 | | Release date: | 2021-10-06 | | Identifier: | 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-5-[[(3~{S})-4-ethyl-3-methyl-2-oxidanylidene-1,3-dihydropyrrol-5-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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 | | TFW | | Name: | 5,6,7-trifluoro-tryptophan | | Formula: | C11 H9 F3 N2 O2 | | SMILES: | N[CH](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O | | InChi: | InChI=1S/C11H9F3N2O2/c12-6-2-5-4(1-7(15)11(17)18)3-16-10(5)9(14)8(6)13/h2-3,7,16H,1,15H2,(H,17,18)/t7-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-[5,6,7-tris(fluoranyl)-1H-indol-3-yl]propanoic acid | | Definition date: | 2022-02-10 | | Last modified: | 2024-09-27 | | Release date: | 2022-11-23 | | Identifier: | (2~{S})-2-azanyl-3-[5,6,7-tris(fluoranyl)-1~{H}-indol-3-yl]propanoic acid |
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 | | V1K | | Name: | 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole | | Formula: | C15 H13 Cl N2 O3 S | | SMILES: | COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3 | | InChi: | InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3 | | Definition date: | 2021-04-06 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole |
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 | | XA6 | | Name: | (2S)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid | | Formula: | C10 H12 N2 O3 | | SMILES: | N[CH](Cc1ccc(cc1)C(N)=O)C(O)=O | | InChi: | InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m0/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2024-09-27 | | Release date: | 2021-12-15 | | Identifier: | (2~{S})-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid |
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 | | ZRJ | | Name: | tert-butyl (2S)-2-amino-2-(3,5-dimethoxyphenyl)acetate | | Formula: | C14 H21 N O4 | | SMILES: | COc1cc(OC)cc(c1)[CH](N)C(=O)OC(C)(C)C | | InChi: | InChI=1S/C14H21NO4/c1-14(2,3)19-13(16)12(15)9-6-10(17-4)8-11(7-9)18-5/h6-8,12H,15H2,1-5H3/t12-/m0/s1 | | Synonyms: | ~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate | | Definition date: | 2024-01-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-04-17 | | Identifier: | ~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate |
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