| UHC | Name: | ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate | Formula: | C19 H35 N2 O9 P S | SMILES: | CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C19H35N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h17,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t17-/m1/s1 | Definition date: | 2023-06-02 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate |
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| 67I | Name: | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid | Formula: | C11 H10 Br2 N2 O2 | SMILES: | N[CH](Cc1c[nH]c2c(Br)cc(Br)cc12)C(O)=O | InChi: | InChI=1S/C11H10Br2N2O2/c12-6-2-7-5(1-9(14)11(16)17)4-15-10(7)8(13)3-6/h2-4,9,15H,1,14H2,(H,16,17)/t9-/m0/s1 | Definition date: | 2023-01-12 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | (2~{S})-2-azanyl-3-[5,7-bis(bromanyl)-1~{H}-indol-3-yl]propanoic acid |
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| QQS | Name: | 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine | Formula: | C31 H49 N5 O2 | SMILES: | COc1cc2c(cc1OCCCN3CCCC3)nc(nc2N(C)C4CCN(CC4)C(C)C)C5CCCCC5 | InChi: | InChI=1S/C31H49N5O2/c1-23(2)36-18-13-25(14-19-36)34(3)31-26-21-28(37-4)29(38-20-10-17-35-15-8-9-16-35)22-27(26)32-30(33-31)24-11-6-5-7-12-24/h21-25H,5-20H2,1-4H3 | Definition date: | 2022-11-11 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 | Identifier: | 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine |
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| E9V | Name: | N-methyl-L-histidine | Formula: | C7 H11 N3 O2 | SMILES: | CNC(Cc1cnc[NH]1)C(=O)O | InChi: | InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 | Definition date: | 2017-12-14 | Last modified: | 2023-11-08 | Release date: | 2018-04-18 | Identifier: | N-methyl-L-histidine |
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| XQZ | Name: | N-T-Butylhydroxylamine | Formula: | C4 H11 N O | SMILES: | CC(C)(C)NO | InChi: | InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3 | Synonyms: | N-hydroxy-2-methylpropan-2-amine | Definition date: | 2022-12-05 | Last modified: | 2023-11-06 | Release date: | 2023-07-12 | Identifier: | N-hydroxy-2-methylpropan-2-amine |
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| 0FL | Name: | 3-amino-N-formyl-L-alanine | Formula: | C4 H8 N2 O3 | SMILES: | O=CNC(C(=O)O)CN | InChi: | InChI=1S/C4H8N2O3/c5-1-3(4(8)9)6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1 | Definition date: | 2010-09-24 | Last modified: | 2023-11-03 | Identifier: | 3-amino-N-formyl-L-alanine |
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| UXQ | Name: | (2S)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid | Formula: | C12 H15 Cl N2 O3 | SMILES: | N[CH](Cc1ccc(CNC(=O)CCl)cc1)C(O)=O | InChi: | InChI=1S/C12H15ClN2O3/c13-6-11(16)15-7-9-3-1-8(2-4-9)5-10(14)12(17)18/h1-4,10H,5-7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1 | Definition date: | 2021-03-26 | Last modified: | 2023-11-03 | Release date: | 2021-10-13 | Identifier: | (2~{S})-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid |
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| TQZ | Name: | 2-AMINO-3-PENTASULFANYLPROPAN-1-OL | Formula: | C3 H7 N O2 S5 | SMILES: | O=C(O)C(N)CSSSSS | InChi: | InChI=1S/C3H7NO2S5/c4-2(3(5)6)1-8-10-11-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | Definition date: | 2013-04-23 | Last modified: | 2023-11-03 | Release date: | 2013-11-27 | Identifier: | 3-pentasulfanyl-L-alanine |
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| WRP | Name: | (betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan | Formula: | C16 H22 N2 O4 | SMILES: | O=C(O)C(N)C(O)c2c1ccccc1n(c2)C(C)(C)C(O)C | InChi: | InChI=1S/C16H22N2O4/c1-9(19)16(2,3)18-8-11(14(20)13(17)15(21)22)10-6-4-5-7-12(10)18/h4-9,13-14,19-20H,17H2,1-3H3,(H,21,22)/t9-,13+,14-/m1/s1 | Definition date: | 2013-06-20 | Last modified: | 2023-11-03 | Release date: | 2013-09-18 | Identifier: | (betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan |
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| TRF | Name: | N1-FORMYL-TRYPTOPHAN | Formula: | C12 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc2c1ccccc1n(c2)C=O | InChi: | InChI=1S/C12H12N2O3/c13-10(12(16)17)5-8-6-14(7-15)11-4-2-1-3-9(8)11/h1-4,6-7,10H,5,13H2,(H,16,17)/t10-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 1-formyl-L-tryptophan |
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| TRN | Name: | NZ2-TRYPTOPHAN | Formula: | C10 H11 N3 O2 | SMILES: | O=C(O)C(N)Cc2c1cccnc1nc2 | InChi: | InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine |
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| TRO | Name: | 2-HYDROXY-TRYPTOPHAN | Formula: | C11 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2O | InChi: | InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 2-hydroxy-L-tryptophan |
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| TRP | Name: | TRYPTOPHAN | Formula: | C11 H12 N2 O2 | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2 | InChi: | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | L-tryptophan |
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| TRQ | Name: | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID | Formula: | C11 H10 N2 O4 | SMILES: | O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2 | InChi: | InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 3-(6,7-dioxo-6,7-dihydro-1H-indol-3-yl)-L-alanine |
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| TRX | Name: | 6-HYDROXYTRYPTOPHAN | Formula: | C11 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc2c1ccc(O)cc1nc2 | InChi: | InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1 | Definition date: | 2001-10-29 | Last modified: | 2023-11-03 | Identifier: | 6-hydroxy-L-tryptophan |
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| UZ1 | Name: | cyclopropanamine | Formula: | C3 H7 N | SMILES: | NC1CC1 | InChi: | InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2 | Definition date: | 2020-06-08 | Last modified: | 2023-11-03 | Release date: | 2020-06-17 | Identifier: | cyclopropanamine |
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| UKD | Name: | 3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine | Formula: | C5 H9 N4 O5 P | SMILES: | OP(=O)(O)c1nnn(c1)CC(N)C(O)=O | InChi: | InChI=1S/C5H9N4O5P/c6-3(5(10)11)1-9-2-4(7-8-9)15(12,13)14/h2-3H,1,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1 | Synonyms: | pHis | Definition date: | 2020-05-20 | Last modified: | 2023-11-03 | Release date: | 2021-02-03 | Identifier: | 3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine |
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| Y57 | Name: | N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine | Formula: | C17 H28 N2 O2 | SMILES: | C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1 | InChi: | InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1 | Definition date: | 2021-02-04 | Last modified: | 2023-11-03 | Release date: | 2021-12-15 | Identifier: | N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine |
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| TSQ | Name: | 4-(trimethylsilyl)-L-phenylalanine | Formula: | C12 H19 N O2 Si | SMILES: | c1cc(CC(C(O)=O)N)ccc1[Si](C)(C)C | InChi: | InChI=1S/C12H19NO2Si/c1-16(2,3)10-6-4-9(5-7-10)8-11(13)12(14)15/h4-7,11H,8,13H2,1-3H3,(H,14,15)/t11-/m0/s1 | Definition date: | 2019-02-04 | Last modified: | 2023-11-03 | Release date: | 2020-09-09 | Identifier: | 4-(trimethylsilyl)-L-phenylalanine |
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| UKY | Name: | 3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine | Formula: | C5 H9 N4 O5 P | SMILES: | C(O)(C(N)Cn1c(P(=O)(O)O)cnn1)=O | InChi: | InChI=1S/C5H9N4O5P/c6-3(5(10)11)2-9-4(1-7-8-9)15(12,13)14/h1,3H,2,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1 | Definition date: | 2020-05-20 | Last modified: | 2023-11-03 | Release date: | 2021-02-03 | Identifier: | 3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine |
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| TSY | Name: | (2S)-2-amino-3-trisulfanylpropanoic acid | Formula: | C3 H7 N O2 S3 | SMILES: | O=C(O)C(N)CSSS | InChi: | InChI=1S/C3H7NO2S3/c4-2(3(5)6)1-8-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | Definition date: | 2013-04-24 | Last modified: | 2023-11-03 | Release date: | 2013-11-27 | Identifier: | 3-trisulfanyl-L-alanine |
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| YNM | Name: | N-METHYL-L-TYROSINE | Formula: | C10 H13 N O3 | SMILES: | O=C(O)C(NC)Cc1ccc(O)cc1 | InChi: | InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1 | Definition date: | 2009-09-03 | Last modified: | 2023-11-03 | Identifier: | N-methyl-L-tyrosine |
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| VVE | Name: | 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile | Formula: | C25 H19 Cl2 N3 O4 | SMILES: | N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1c2ccccc2N(C(=O)CC)C1=O | InChi: | InChI=1S/C25H19Cl2N3O4/c1-2-24(31)30-21-6-4-3-5-20(21)29(25(30)32)9-10-33-23-14-17(26)7-8-22(23)34-19-12-16(15-28)11-18(27)13-19/h3-8,11-14H,2,9-10H2,1H3 | Definition date: | 2023-09-19 | Last modified: | 2023-11-03 | Release date: | 2023-11-08 | Identifier: | 3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile |
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| TTQ | Name: | 6-AMINO-7-HYDROXY-L-TRYPTOPHAN | Formula: | C11 H13 N3 O3 | SMILES: | O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)N | InChi: | InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)/t8-/m0/s1 | Definition date: | 2006-08-21 | Last modified: | 2023-11-03 | Identifier: | 6-amino-7-hydroxy-L-tryptophan |
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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: | 2023-11-03 | Identifier: | 3-[(3E)-4-hydroxy-3-{[2-(4-hydroxyphenyl)ethyl]imino}-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine |
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