 | | QQV | | Name: | (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide | | Formula: | C19 H25 N3 O5 S | | SMILES: | O=C(N1CCOCC1)C3CC(S(=O)(=O)c2ccccc2)CC3C(=O)NCC=[N@H] | | InChi: | InChI=1S/C19H25N3O5S/c20-6-7-21-18(23)16-12-15(28(25,26)14-4-2-1-3-5-14)13-17(16)19(24)22-8-10-27-11-9-22/h1-6,15-17,20H,7-13H2,(H,21,23)/b20-6+/t15-,16-,17-/m1/s1 | | Definition date: | 2013-06-11 | | Last modified: | 2024-09-27 | | Release date: | 2013-11-27 | | Identifier: | (1R,2R,4R)-N-[(2E)-2-iminoethyl]-2-(morpholin-4-ylcarbonyl)-4-(phenylsulfonyl)cyclopentanecarboxamide |
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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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 | | 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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 | | T69 | | Name: | (2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid | | Formula: | C19 H35 N O4 S | | SMILES: | CC(=C/C1NC(SC1)C(C)C(O)CC(C)CC(O)C(C)(C)C)C(=O)O | | InChi: | InChI=1S/C19H35NO4S/c1-11(8-16(22)19(4,5)6)7-15(21)13(3)17-20-14(10-25-17)9-12(2)18(23)24/h9,11,13-17,20-22H,7-8,10H2,1-6H3,(H,23,24)/b12-9+/t11-,13-,14-,15-,16-,17+/m0/s1 | | Definition date: | 2022-07-18 | | Last modified: | 2024-09-27 | | Release date: | 2023-05-24 | | Identifier: | (2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid |
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 | | XTP | | Name: | benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | | Formula: | C21 H29 N3 O5 | | SMILES: | C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2ccccc2)=O)CCN3 | | InChi: | InChI=1S/C21H29N3O5/c25-12-17(11-16-8-9-22-19(16)26)23-20(27)18(10-14-6-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-5,14,16-18,25H,6-13H2,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1 | | Definition date: | 2021-01-13 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-07 | | Identifier: | benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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 | | I54 | | Name: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C21 H30 Cl N3 O8 S | | SMILES: | CC(C)CC(NC(=O)OCc1ccccc1Cl)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | | InChi: | InChI=1S/C21H30ClN3O8S/c1-12(2)9-16(25-21(29)33-11-14-5-3-4-6-15(14)22)19(27)24-17(20(28)34(30,31)32)10-13-7-8-23-18(13)26/h3-6,12-13,16-17,20,28H,7-11H2,1-2H3,(H,23,26)(H,24,27)(H,25,29)(H,30,31,32)/t13-,16-,17-,20?/m0/s1 | | Definition date: | 2022-01-19 | | Last modified: | 2024-09-27 | | Release date: | 2022-05-04 | | Identifier: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | PXW | | Name: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium | | Formula: | C24 H24 Cl N4 O S | | SMILES: | S/C(N)=[N+]1C2CC(NC(=O)c3ccc(cc3Cl)c3cccc(c3)C3(C#N)CC3)C1CC2 | | InChi: | InChI=1S/C24H23ClN4OS/c25-19-11-15(14-2-1-3-16(10-14)24(13-26)8-9-24)4-6-18(19)22(30)28-20-12-17-5-7-21(20)29(17)23(27)31/h1-4,6,10-11,17,20-21H,5,7-9,12H2,(H3,27,28,30,31)/p+1/t17-,20+,21+/m0/s1 | | Definition date: | 2022-05-31 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-01 | | Identifier: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium |
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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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 | | QCV | | Name: | N-(4-nitrophenyl)methanimine | | Formula: | C7 H6 N2 O2 | | SMILES: | C=Nc1ccc(cc1)N(=O)=O | | InChi: | InChI=1S/C7H6N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5H,1H2 | | Definition date: | 2019-10-16 | | Last modified: | 2024-09-27 | | Release date: | 2019-11-20 | | Identifier: | N-(4-nitrophenyl)methanimine |
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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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 | | QQZ | | Name: | phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid | | Formula: | C7 H10 B N6 O7 P S | | SMILES: | OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P](O)(O)=O | | InChi: | InChI=1S/C7H10BN6O7PS/c15-8(21-22(16,17)18)4-10-23(19,20)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15H,4H2,(H2,16,17,18)(H,11,12,13,14) | | Definition date: | 2017-07-05 | | Last modified: | 2024-09-27 | | Release date: | 2017-12-06 | | Identifier: | phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid |
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 | | SD0 | | Name: | (S)-5-amino-2-(4-(2-amino-2-carboxyethyl)phenyl)-2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborinan-2-uide | | Formula: | C13 H20 B N2 O6 | | SMILES: | N[CH](Cc1ccc(cc1)[B-]2(O)OCC(N)(CO)CO2)C(O)=O | | InChi: | InChI=1S/C13H20BN2O6/c15-11(12(18)19)5-9-1-3-10(4-2-9)14(20)21-7-13(16,6-17)8-22-14/h1-4,11,17,20H,5-8,15-16H2,(H,18,19)/q-1/t11-,13-,14+/m0/s1 | | Synonyms: | (2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-$l^{3}-oxidanyl-1,3,2$l^{4}-dioxaborinan-2-yl]phenyl]propanal | | Definition date: | 2023-08-30 | | Last modified: | 2024-09-27 | | Release date: | 2024-05-01 | | Identifier: | (2~{S})-2-azanyl-3-[4-[5-azanyl-5-(hydroxymethyl)-2-oxidanyl-1,3-dioxa-2-boranuidacyclohex-2-yl]phenyl]propanoic acid |
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 | | W1U | | Name: | N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-[(2R)-2-phenylazetidine-1-carbonyl]-L-leucinamide | | Formula: | C24 H36 N4 O4 | | SMILES: | O=C(NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)N1CCC1c1ccccc1 | | InChi: | InChI=1S/C24H36N4O4/c1-24(2,3)14-19(22(31)26-18(15-29)13-17-9-11-25-21(17)30)27-23(32)28-12-10-20(28)16-7-5-4-6-8-16/h4-8,17-20,29H,9-15H2,1-3H3,(H,25,30)(H,26,31)(H,27,32)/t17-,18+,19-,20+/m0/s1 | | Definition date: | 2023-09-21 | | Last modified: | 2024-09-27 | | Release date: | 2024-09-25 | | Identifier: | N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-[(2R)-2-phenylazetidine-1-carbonyl]-L-leucinamide |
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 | | PJE | | Name: | (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid | | Formula: | C9 H14 N2 O3 | | SMILES: | N[CH](C[CH]1CCNC1=O)C=CC(O)=O | | InChi: | InChI=1S/C9H14N2O3/c10-7(1-2-8(12)13)5-6-3-4-11-9(6)14/h1-2,6-7H,3-5,10H2,(H,11,14)(H,12,13)/b2-1+/t6-,7+/m0/s1 | | Definition date: | 2015-11-24 | | Last modified: | 2024-09-27 | | Release date: | 2015-12-02 | | Identifier: | (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid |
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 | | SRH | | Name: | ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate | | Formula: | C14 H17 N O3 | | SMILES: | CCOC(=O)CCC(=O)N1CCc2ccccc12 | | InChi: | InChI=1S/C14H17NO3/c1-2-18-14(17)8-7-13(16)15-10-9-11-5-3-4-6-12(11)15/h3-6H,2,7-10H2,1H3 | | Definition date: | 2020-11-30 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-04 | | Identifier: | ethyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate |
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 | | PY0 | | Name: | (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate | | Formula: | C3 H8 N O3 | | SMILES: | [O-]C(O)(N)C(O)C | | InChi: | InChI=1S/C3H8NO3/c1-2(5)3(4,6)7/h2,5-6H,4H2,1H3/q-1/t2-,3+/m0/s1 | | Definition date: | 2009-01-21 | | Last modified: | 2024-09-27 | | Identifier: | (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate |
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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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 | | TL8 | | Name: | 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde | | Formula: | C17 H14 N2 O2 | | SMILES: | COc1cc(ccc1C=O)n2ccnc2c3ccccc3 | | InChi: | InChI=1S/C17H14N2O2/c1-21-16-11-15(8-7-14(16)12-20)19-10-9-18-17(19)13-5-3-2-4-6-13/h2-12H,1H3 | | Definition date: | 2021-01-08 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde |
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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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 | | SD4 | | Name: | N-hydroxy-L-asparagine | | Formula: | C4 H8 N2 O4 | | SMILES: | N[CH](CC(=O)NO)C(O)=O | | InChi: | InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 | | Definition date: | 2012-03-01 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-azanyl-4-(oxidanylamino)-4-oxidanylidene-butanoic acid |
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 | | V7D | | Name: | 2,2-diamino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid | | Formula: | C16 H24 N3 O7 P | | SMILES: | OC(=O)C(N)(N)CCP(Oc1ccccc1)OC(CC)C(NCC(O)=O)=O | | InChi: | InChI=1S/C16H24N3O7P/c1-2-12(14(22)19-10-13(20)21)26-27(9-8-16(17,18)15(23)24)25-11-6-4-3-5-7-11/h3-7,12H,2,8-10,17-18H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12-,27-/m0/s1 | | Definition date: | 2020-07-13 | | Last modified: | 2024-09-27 | | Release date: | 2020-11-25 | | Identifier: | 2,2-diamino-4-[(R)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(phenoxy)phosphanyl]butanoic acid |
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 | | T6H | | Name: | 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide | | Formula: | C12 H17 N O2 S | | SMILES: | CC(C)(Oc1ccccc1)C(=O)NCCS | | InChi: | InChI=1S/C12H17NO2S/c1-12(2,11(14)13-8-9-16)15-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,13,14) | | Definition date: | 2020-12-15 | | Last modified: | 2024-09-27 | | Release date: | 2021-07-07 | | Identifier: | 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide |
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 | | TLA | | Name: | L(+)-TARTARIC ACID | | Formula: | C4 H6 O6 | | SMILES: | O=C(O)C(O)C(O)C(=O)O | | InChi: | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 | | Definition date: | 2002-01-22 | | Last modified: | 2024-09-27 | | Identifier: | (2R,3R)-2,3-dihydroxybutanedioic acid |
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 | | RXW | | Name: | (5-methyl-1H-indazol-6-yl)boronic acid | | Formula: | C8 H9 B N2 O2 | | SMILES: | Cc1cc2cn[nH]c2cc1B(O)O | | InChi: | InChI=1S/C8H9BN2O2/c1-5-2-6-4-10-11-8(6)3-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11) | | Synonyms: | 5-Methyl-1H-indazole-6-boronic acid | | Definition date: | 2020-10-31 | | Last modified: | 2024-09-27 | | Release date: | 2021-08-11 | | Identifier: | (5-methyl-1~{H}-indazol-6-yl)boronic acid |
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 | | TZK | | Name: | 4-(4-methylphenyl)sulfonylmorpholine | | Formula: | C11 H15 N O3 S | | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N2CCOCC2 | | InChi: | InChI=1S/C11H15NO3S/c1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12/h2-5H,6-9H2,1H3 | | Definition date: | 2021-01-14 | | Last modified: | 2024-09-27 | | Release date: | 2021-09-15 | | Identifier: | 4-(4-methylphenyl)sulfonylmorpholine |
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