 | OUH | Name: | [(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid | Formula: | C7 H12 N4 O2 | SMILES: | N[CH](CNC(O)=O)Cc1[nH]cnc1 | InChi: | InChI=1S/C7H12N4O2/c8-5(2-10-7(12)13)1-6-3-9-4-11-6/h3-5,10H,1-2,8H2,(H,9,11)(H,12,13)/t5-/m0/s1 | Definition date: | 2017-02-10 | Last modified: | 2024-09-27 | Release date: | 2017-04-12 | Identifier: | [(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid |
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 | OUI | Name: | [(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid | Formula: | C7 H16 N2 O2 | SMILES: | CC[CH](C)[CH](N)CNC(O)=O | InChi: | InChI=1S/C7H16N2O2/c1-3-5(2)6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t5-,6+/m0/s1 | Definition date: | 2017-02-10 | Last modified: | 2024-09-27 | Release date: | 2017-04-12 | Identifier: | [(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid |
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 | W5N | Name: | [(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate | Formula: | C23 H40 N2 O5 | SMILES: | CO[CH]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C(C)C)OC(=O)N[CH]3CC[CH](N)CC3 | InChi: | InChI=1S/C23H40N2O5/c1-14(2)6-11-18-23(4,30-18)20-19(28-5)17(12-13-22(20,3)27)29-21(26)25-16-9-7-15(24)8-10-16/h6,15-20,27H,7-13,24H2,1-5H3,(H,25,26)/t15-,16-,17-,18+,19-,20+,22-,23+/m1/s1 | Synonyms: | (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-(trans-4-aminocyclohexyl)carbamate | Definition date: | 2023-05-02 | Last modified: | 2024-09-27 | Release date: | 2024-04-10 | Identifier: | [(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate |
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 | UVE | Name: | 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde | Formula: | C15 H13 N O4 S | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCOc3ccccc23 | InChi: | InChI=1S/C15H13NO4S/c17-11-12-5-7-13(8-6-12)21(18,19)16-9-10-20-15-4-2-1-3-14(15)16/h1-8,11H,9-10H2 | Definition date: | 2021-03-23 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde |
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 | PAM | Name: | PALMITOLEIC ACID | Formula: | C16 H30 O2 | SMILES: | O=C(O)CCCCCCCC=C/CCCCCC | InChi: | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (9Z)-hexadec-9-enoic acid |
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 | OUK | Name: | [(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium | Formula: | C7 H18 N3 O2 | SMILES: | N[CH](CCCC[NH3+])CNC(O)=O | InChi: | InChI=1S/C7H17N3O2/c8-4-2-1-3-6(9)5-10-7(11)12/h6,10H,1-5,8-9H2,(H,11,12)/p+1/t6-/m0/s1 | Definition date: | 2017-02-10 | Last modified: | 2024-09-27 | Release date: | 2017-04-12 | Identifier: | [(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium |
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 | OUL | Name: | 4-(4-aminocarbonylphenoxy)benzamide | Formula: | C14 H12 N2 O3 | SMILES: | NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1 | InChi: | InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18) | Synonyms: | OUL35 | Definition date: | 2017-09-25 | Last modified: | 2024-09-27 | Release date: | 2018-07-25 | Identifier: | 4-(4-aminocarbonylphenoxy)benzamide |
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 | Q33 | Name: | 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide | Formula: | C21 H16 Cl2 N2 O2 | SMILES: | Clc1cc(cc(C(=O)Nc2ccccc2)c1Cl)C(=O)NCc3ccccc3 | InChi: | InChI=1S/C21H16Cl2N2O2/c22-18-12-15(20(26)24-13-14-7-3-1-4-8-14)11-17(19(18)23)21(27)25-16-9-5-2-6-10-16/h1-12H,13H2,(H,24,26)(H,25,27) | Definition date: | 2022-10-12 | Last modified: | 2024-09-27 | Release date: | 2022-12-28 | Identifier: | 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide |
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 | L61 | Name: | 2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate | Formula: | C14 H19 N O3 | SMILES: | O=C(OCC(C)C)NC(c1ccccc1)CC=O | InChi: | InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)15-13(8-9-16)12-6-4-3-5-7-12/h3-7,9,11,13H,8,10H2,1-2H3,(H,15,17)/t13-/m1/s1 | Definition date: | 2013-02-11 | Last modified: | 2024-09-27 | Release date: | 2013-05-22 | Identifier: | 2-methylpropyl [(1R)-3-oxo-1-phenylpropyl]carbamate |
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 | TQK | Name: | 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde | Formula: | C17 H14 N2 O | SMILES: | Cc1cc(ccc1C=O)n2ccnc2c3ccccc3 | InChi: | InChI=1S/C17H14N2O/c1-13-11-16(8-7-15(13)12-20)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3 | Definition date: | 2021-01-12 | Last modified: | 2024-09-27 | Release date: | 2021-06-16 | Identifier: | 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde |
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 | UVH | Name: | 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde | Formula: | C14 H20 N2 O3 S | SMILES: | CC(C)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2 | InChi: | InChI=1S/C14H20N2O3S/c1-12(2)15-7-9-16(10-8-15)20(18,19)14-5-3-13(11-17)4-6-14/h3-6,11-12H,7-10H2,1-2H3 | Definition date: | 2021-03-23 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde |
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 | LKK | Name: | 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid | Formula: | C16 H21 Br N4 O4 S | SMILES: | CCC(CC)(C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1)[S](O)(=O)=O | InChi: | InChI=1S/C16H21BrN4O4S/c1-3-16(4-2,26(23,24)25)15(22)18-9-14-11-21(20-19-14)10-12-5-7-13(17)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,22)(H,23,24,25) | Definition date: | 2019-08-21 | Last modified: | 2024-09-27 | Release date: | 2020-04-08 | Identifier: | 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid |
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 | L62 | Name: | cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate | Formula: | C15 H19 N O3 | SMILES: | O=C(OC1CCCC1)NC(c2ccccc2)CC=O | InChi: | InChI=1S/C15H19NO3/c17-11-10-14(12-6-2-1-3-7-12)16-15(18)19-13-8-4-5-9-13/h1-3,6-7,11,13-14H,4-5,8-10H2,(H,16,18)/t14-/m1/s1 | Definition date: | 2013-02-11 | Last modified: | 2024-09-27 | Release date: | 2013-05-22 | Identifier: | cyclopentyl [(1R)-3-oxo-1-phenylpropyl]carbamate |
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 | MTX | Name: | METHOTREXATE | Formula: | C20 H22 N8 O5 | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)N(C)Cc2nc3c(nc2)nc(nc3N)N)CCC(=O)O | InChi: | InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid |
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 | 5I1 | Name: | N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | Formula: | C30 H34 Cl N7 O2 | SMILES: | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC[CH](C2)Nc3ncc(Cl)c(n3)c4c[nH]c5ccccc45 | InChi: | InChI=1S/C30H34ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,8-9,11-14,17-18,22,32H,5-7,10,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/t22-/m1/s1 | Definition date: | 2015-08-17 | Last modified: | 2024-09-27 | Release date: | 2016-06-15 | Identifier: | N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide |
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 | MTY | Name: | META-TYROSINE | Formula: | C9 H11 N O3 | SMILES: | O=C(O)C(N)Cc1cc(O)ccc1 | InChi: | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 3-hydroxy-L-phenylalanine |
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 | PAQ | Name: | 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE | Formula: | C14 H16 N4 O4 | SMILES: | O=C(O)C(N)CC2C=C(NNc1ncccc1)C(O)=CC2=O | InChi: | InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridin-2-ylhydrazino)cyclohexa-2,4-dien-1-yl]-L-alanine |
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 | UVK | Name: | 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde | Formula: | C15 H12 F N O4 S | SMILES: | Fc1ccc2OCCN(c2c1)[S](=O)(=O)c3ccc(C=O)cc3 | InChi: | InChI=1S/C15H12FNO4S/c16-12-3-6-15-14(9-12)17(7-8-21-15)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2 | Definition date: | 2021-03-23 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
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 | OUR | Name: | [azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium | Formula: | C7 H18 N5 O2 | SMILES: | N[CH](CCCNC(N)=[NH2+])CNC(O)=O | InChi: | InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1 | Definition date: | 2017-02-10 | Last modified: | 2024-09-27 | Release date: | 2017-04-12 | Identifier: | [azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium |
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 | UVN | Name: | 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde | Formula: | C11 H12 N2 O4 S | SMILES: | O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2 | InChi: | InChI=1S/C11H12N2O4S/c14-8-9-1-3-10(4-2-9)18(16,17)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15) | Definition date: | 2021-03-23 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde |
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 | PAT | Name: | ALPHA-PHOSPHONO-TRYPTOPHAN | Formula: | C11 H13 N2 O5 P | SMILES: | O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2 | InChi: | InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18) | Definition date: | 2001-03-12 | Last modified: | 2024-09-27 | Identifier: | alpha-phosphono-L-tryptophan |
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 | TCK | Name: | N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide | Formula: | C14 H21 Cl N2 O3 S | SMILES: | O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C | InChi: | InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1 | Synonyms: | Tos-Lys-CH2Cl | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide |
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 | L68 | Name: | 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid | Formula: | C23 H16 F2 N4 O3 | SMILES: | Cn1cc(cn1)c2ccc(C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc4)c2 | InChi: | InChI=1S/C23H16F2N4O3/c1-29-12-17(11-28-29)13-2-4-18(23(31)32)14(6-13)3-5-21(30)22-19(24)7-15(8-20(22)25)16-9-26-27-10-16/h2-12H,1H3,(H,26,27)(H,31,32)/b5-3+ | Definition date: | 2019-07-23 | Last modified: | 2024-09-27 | Release date: | 2019-11-27 | Identifier: | 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid |
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 | TQQ | Name: | (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7-OXO-1H-INDOL-3-YL)PROPANOIC ACID | Formula: | C11 H11 N3 O3 | SMILES: | O=C(O)C(N)Cc2c1C=CC(=[N@H])C(=O)c1nc2 | InChi: | InChI=1S/C11H11N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,12,14H,3,13H2,(H,16,17)/b12-7-/t8-/m0/s1 | Synonyms: | 3-[(6E)-6-IMINO-7-OXO-6,7-DIHYDRO-1H-INDOL-3-YL]-L-ALANINE | Definition date: | 2005-08-10 | Last modified: | 2024-09-27 | Identifier: | 3-[(6Z)-6-imino-7-oxo-6,7-dihydro-1H-indol-3-yl]-L-alanine |
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 | QIL | Name: | N-formyl-L-isoleucine | Formula: | C7 H13 N O3 | SMILES: | O=CNC(C(=O)O)C(CC)C | InChi: | InChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-,6-/m0/s1 | Definition date: | 2011-05-25 | Last modified: | 2024-09-27 | Identifier: | N-formyl-L-isoleucine |
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