 | | 72T | | Name: | 7-(trifluoromethyl)-1~{H}-indole-2,3-dione | | Formula: | C9 H4 F3 N O2 | | SMILES: | FC(F)(F)c1cccc2C(=O)C(=O)Nc12 | | InChi: | InChI=1S/C9H4F3NO2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14/h1-3H,(H,13,14,15) | | Definition date: | 2016-08-18 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | 7-(trifluoromethyl)-1~{H}-indole-2,3-dione |
|
 | | 72U | | Name: | methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate | | Formula: | C10 H7 N O4 | | SMILES: | COC(=O)c1cccc2C(=O)C(=O)Nc12 | | InChi: | InChI=1S/C10H7NO4/c1-15-10(14)6-4-2-3-5-7(6)11-9(13)8(5)12/h2-4H,1H3,(H,11,12,13) | | Definition date: | 2016-08-18 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate |
|
 | | 72V | | Name: | 1-methylindole-2,3-dione | | Formula: | C9 H7 N O2 | | SMILES: | CN1C(=O)C(=O)c2ccccc12 | | InChi: | InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3 | | Definition date: | 2016-08-18 | | Last modified: | 2024-09-27 | | Release date: | 2017-03-15 | | Identifier: | 1-methylindole-2,3-dione |
|
 | | L3F | | Name: | (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate | | Formula: | C22 H28 N2 O4 | | SMILES: | CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO)Cc2ccccc2 | | InChi: | InChI=1S/C22H28N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,16,19-20,25H,13-15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20-/m0/s1 | | Synonyms: | benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate | | Definition date: | 2022-06-14 | | Last modified: | 2024-09-27 | | Release date: | 2023-07-05 | | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate |
|
 | | 737 | | Name: | N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE | | Formula: | C32 H33 N9 O3 S | | SMILES: | O=C(c1nccs1)C(NC(=O)CN4C(=NC=C(NCc3c2ncccc2ccc3)C4=O)c5cccc(c5)C)CCCNC(=[N@H])N | | InChi: | InChI=1S/C32H33N9O3S/c1-20-6-2-8-22(16-20)29-39-18-25(38-17-23-9-3-7-21-10-4-12-35-27(21)23)31(44)41(29)19-26(42)40-24(11-5-13-37-32(33)34)28(43)30-36-14-15-45-30/h2-4,6-10,12,14-16,18,24,38H,5,11,13,17,19H2,1H3,(H,40,42)(H4,33,34,37)/t24-/m0/s1 | | Definition date: | 2005-07-27 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]-2-[2-(3-methylphenyl)-6-oxo-5-[(quinolin-8-ylmethyl)amino]pyrimidin-1(6H)-yl]acetamide |
|
 | | 73C | | Name: | (2~{S})-2-azanyl-3-butoxy-propanoic acid | | Formula: | C7 H15 N O3 | | SMILES: | CCCCOC[CH](N)C(O)=O | | InChi: | InChI=1S/C7H15NO3/c1-2-3-4-11-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1 | | Definition date: | 2015-12-22 | | Last modified: | 2024-09-27 | | Release date: | 2016-06-15 | | Identifier: | (2~{S})-2-azanyl-3-butoxy-propanoic acid |
|
 | | L3O | | Name: | (2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid | | Formula: | C7 H15 N O3 | | SMILES: | O=C(O)C(O)C(N)CC(C)C | | InChi: | InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1 | | Definition date: | 2009-05-03 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid |
|
 | | 73D | | Name: | 1-ethylindole-2,3-dione | | Formula: | C10 H9 N O2 | | SMILES: | CCN1C(=O)C(=O)c2ccccc12 | | InChi: | InChI=1S/C10H9NO2/c1-2-11-8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,2H2,1H3 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | 1-ethylindole-2,3-dione |
|
 | | 73F | | Name: | 1-(2-phenylethyl)indole-2,3-dione | | Formula: | C16 H13 N O2 | | SMILES: | O=C1N(CCc2ccccc2)c3ccccc3C1=O | | InChi: | InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)17(16(15)19)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | 1-(2-phenylethyl)indole-2,3-dione |
|
 | | 73G | | Name: | butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate | | Formula: | C14 H15 N O4 | | SMILES: | CCCCOC(=O)CN1C(=O)C(=O)c2ccccc12 | | InChi: | InChI=1S/C14H15NO4/c1-2-3-8-19-12(16)9-15-11-7-5-4-6-10(11)13(17)14(15)18/h4-7H,2-3,8-9H2,1H3 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate |
|
 | | L3S | | Name: | 5-methyl-2-nitrophenol | | Formula: | C7 H7 N O3 | | SMILES: | c1(cc(C)ccc1[N+](=O)[O-])O | | InChi: | InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3 | | Definition date: | 2019-02-06 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-23 | | Identifier: | 5-methyl-2-nitrophenol |
|
 | | 73H | | Name: | 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione | | Formula: | C16 H12 F N O2 | | SMILES: | Fc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1 | | InChi: | InChI=1S/C16H12FNO2/c17-12-6-7-14-13(10-12)15(19)16(20)18(14)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2018-08-29 | | Identifier: | 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione |
|
 | | L3V | | Name: | N-[4-(hydroxymethyl)phenyl]acetamide | | Formula: | C9 H11 N O2 | | SMILES: | CC(=O)Nc1ccc(CO)cc1 | | InChi: | InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-5,11H,6H2,1H3,(H,10,12) | | Definition date: | 2019-02-06 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-23 | | Identifier: | N-[4-(hydroxymethyl)phenyl]acetamide |
|
 | | 73N | | Name: | (2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid | | Formula: | C7 H14 N4 O4 | | SMILES: | NC(=N)NCCC[CH](NC(O)=O)C(O)=O | | InChi: | InChI=1S/C7H14N4O4/c8-6(9)10-3-1-2-4(5(12)13)11-7(14)15/h4,11H,1-3H2,(H,12,13)(H,14,15)(H4,8,9,10)/t4-/m0/s1 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-21 | | Identifier: | (2~{S})-5-carbamimidamido-2-(carboxyamino)pentanoic acid |
|
 | | L3Y | | Name: | 4-(methylsulfonyl)benzaldehyde | | Formula: | C8 H8 O3 S | | SMILES: | CS(c1ccc(C=O)cc1)(=O)=O | | InChi: | InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3 | | Definition date: | 2019-02-06 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-23 | | Identifier: | 4-(methylsulfonyl)benzaldehyde |
|
 | | 73O | | Name: | (2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid | | Formula: | C10 H13 N O3 | | SMILES: | N[CH](CCc1ccc(O)cc1)C(O)=O | | InChi: | InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-21 | | Identifier: | (2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid |
|
 | | 73P | | Name: | (2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid | | Formula: | C7 H14 N2 O4 | | SMILES: | NCCCC[CH](NC(O)=O)C(O)=O | | InChi: | InChI=1S/C7H14N2O4/c8-4-2-1-3-5(6(10)11)9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1 | | Definition date: | 2016-08-19 | | Last modified: | 2024-09-27 | | Release date: | 2016-09-21 | | Identifier: | (2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid |
|
 | | 73V | | Name: | BENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | | Formula: | C25 H35 N3 O6 | | SMILES: | O=C(NC(C(=O)N2C(C(=O)OCc1ccccc1)CCC2)C(C)CC)C3OC3C(=O)NCCC | | InChi: | InChI=1S/C25H35N3O6/c1-4-13-26-22(29)20-21(34-20)23(30)27-19(16(3)5-2)24(31)28-14-9-12-18(28)25(32)33-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-21H,4-5,9,12-15H2,1-3H3,(H,26,29)(H,27,30)/t16-,18-,19-,20-,21-/m0/s1 | | Synonyms: | CA073 | | Definition date: | 2006-01-04 | | Last modified: | 2024-09-27 | | Identifier: | benzyl N-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate |
|
 | | L4C | | Name: | (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID | | Formula: | C10 H14 N2 O8 | | SMILES: | O=C(O)C(=NOCC(NC(=O)C)C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1 | | Synonyms: | LACTIVICIN | | Definition date: | 2007-01-15 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-2-{[(2S)-2-(acetylamino)-2-carboxyethoxy]imino}pentanedioic acid |
|
 | | L4F | | Name: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate | | Formula: | C41 H49 N7 O6 S | | SMILES: | NC(=N)Nc1ccc(cc1)C(=O)OCCN2CCN(CC2)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCc4ccccc4)CC[S](=O)(=O)c5ccccc5 | | InChi: | InChI=1S/C41H49N7O6S/c42-40(43)45-34-20-17-33(18-21-34)39(50)54-28-27-47-23-25-48(26-24-47)41(51)46-37(30-32-12-6-2-7-13-32)38(49)44-35(19-16-31-10-4-1-5-11-31)22-29-55(52,53)36-14-8-3-9-15-36/h1-15,17-18,20-21,35,37H,16,19,22-30H2,(H,44,49)(H,46,51)(H4,42,43,45)/t35-,37-/m0/s1 | | Definition date: | 2022-11-10 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-13 | | Identifier: | 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate |
|
 | | 74C | | Name: | methyl radical | | Formula: | C H3 | | SMILES: | [CH3] | | InChi: | InChI=1S/CH4/h1H4 | | Definition date: | 2016-08-23 | | Last modified: | 2024-09-27 | | Release date: | 2017-09-13 | | Identifier: | $l^{3}-carbane |
|
 | | L4R | | Name: | Fmoc-(R)-2-(7-octenyl)alanine | | Formula: | C11 H21 N O2 | | SMILES: | C[C](N)(CCCCCCC=C)C(O)=O | | InChi: | InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)/t11-/m1/s1 | | Definition date: | 2022-06-16 | | Last modified: | 2024-09-27 | | Release date: | 2022-07-20 | | Identifier: | (2~{R})-2-azanyl-2-methyl-dec-9-enoic acid |
|
 | | 74M | | Name: | METHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | | Formula: | C19 H31 N3 O6 | | SMILES: | O=C(NCCC)C2OC2C(=O)NC(C(=O)N1C(C(=O)OC)CCC1)C(C)CC | | InChi: | InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1 | | Synonyms: | CA074ME | | Definition date: | 2006-01-05 | | Last modified: | 2024-09-27 | | Identifier: | methyl N-{[(2S,3S)-3-(propylcarbamoyl)oxiran-2-yl]carbonyl}-L-isoleucyl-L-prolinate |
|
 | | 74P | | Name: | (E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine | | Formula: | C11 H18 N2 O5 | | SMILES: | C(C/C(=NCCCCC(N)C(O)=O)C(=O)O)(C)=O | | InChi: | InChI=1S/C11H18N2O5/c1-7(14)6-9(11(17)18)13-5-3-2-4-8(12)10(15)16/h8H,2-6,12H2,1H3,(H,15,16)(H,17,18)/b13-9+/t8-/m0/s1 | | Definition date: | 2016-08-24 | | Last modified: | 2024-09-27 | | Release date: | 2016-10-05 | | Identifier: | (E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine |
|
 | | 750 | | Name: | 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE | | Formula: | C40 H47 N5 O7 | | SMILES: | O=C3CN(C(=O)Cc2cccc(c1ncccc1)c2)CCCC3NC(=O)C(NC(=O)c6oc5c(cc(OCCN4CCOCC4)cc5)c6)CC(C)C | | InChi: | InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1 | | Definition date: | 2003-01-07 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1S)-3-methyl-1-({(4S)-3-oxo-1-[(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl}carbamoyl)butyl]-5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxamide |
|
