 | | QUI | | Name: | 2-CARBOXYQUINOXALINE | | Formula: | C9 H6 N2 O2 | | SMILES: | O=C(O)c1nc2ccccc2nc1 | | InChi: | InChI=1S/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | quinoxaline-2-carboxylic acid |
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 | | QUJ | | Name: | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid | | Formula: | C14 H16 N2 O3 | | SMILES: | CC(C)COc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18) | | Definition date: | 2016-05-24 | | Last modified: | 2024-09-27 | | Release date: | 2017-03-01 | | Identifier: | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid |
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 | | QUK | | Name: | 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid | | Formula: | C13 H15 N3 O3 | | SMILES: | NCCCOc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18) | | Definition date: | 2016-05-24 | | Last modified: | 2024-09-27 | | Release date: | 2017-03-01 | | Identifier: | 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid |
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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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 | | MQQ | | Name: | N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE | | Formula: | C32 H39 N3 O7 S2 | | SMILES: | O=C(NC(C(=O)NC(CCS(=O)(=O)c1ccccc1)CCc2ccccc2)CCS(=O)(=O)c3ccccc3)N4CCOCC4 | | InChi: | InChI=1S/C32H39N3O7S2/c36-31(30(34-32(37)35-20-22-42-23-21-35)19-25-44(40,41)29-14-8-3-9-15-29)33-27(17-16-26-10-4-1-5-11-26)18-24-43(38,39)28-12-6-2-7-13-28/h1-15,27,30H,16-25H2,(H,33,36)(H,34,37)/t27-,30-/m0/s1 | | Definition date: | 2006-03-13 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1S)-1-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}carbamoyl)-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide |
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 | | BG3 | | Name: | 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID | | Formula: | C6 H11 N O5 S | | SMILES: | O=S(=O)(O)C1NC(C(=O)O)C(C)C1 | | InChi: | InChI=1S/C6H11NO5S/c1-3-2-4(13(10,11)12)7-5(3)6(8)9/h3-5,7H,2H2,1H3,(H,8,9)(H,10,11,12)/t3-,4+,5-/m1/s1 | | Definition date: | 2004-07-14 | | Last modified: | 2024-09-27 | | Identifier: | (3R,5S)-3-methyl-5-sulfo-D-proline |
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 | | BG4 | | Name: | 5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID | | Formula: | C7 H14 N2 O3 | | SMILES: | O=C(O)C1NC(N(O)C)CC1C | | InChi: | InChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m1/s1 | | Definition date: | 2004-07-14 | | Last modified: | 2024-09-27 | | Identifier: | (3R,5R)-5-[hydroxy(methyl)amino]-3-methyl-D-proline |
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 | | RNX | | Name: | 1-(4-{[2-(4-{(4P)-4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethoxy]methyl}piperidin-1-yl)prop-2-en-1-one | | Formula: | C28 H38 F2 N10 O4 | | SMILES: | C=CC(=O)N1CCC(CC1)COCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1C | | InChi: | InChI=1S/C28H38F2N10O4/c1-3-21(41)37-6-4-19(5-7-37)16-44-17-22(42)38-8-10-39(11-9-38)27-34-25(20-14-32-26(31)33-23(20)24(29)30)35-28(36-27)40-12-13-43-15-18(40)2/h3,14,18-19,24H,1,4-13,15-17H2,2H3,(H2,31,32,33)/t18-/m0/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-08-28 | | Identifier: | 1-(4-{[2-(4-{(4P)-4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethoxy]methyl}piperidin-1-yl)prop-2-en-1-one |
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 | | BG5 | | Name: | 5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID | | Formula: | C6 H12 N2 O3 | | SMILES: | O=C(O)C1NC(NO)CC1C | | InChi: | InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1 | | Definition date: | 2004-07-14 | | Last modified: | 2024-09-27 | | Identifier: | (3R,5R)-5-(hydroxyamino)-3-methyl-D-proline |
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 | | VRB | | Name: | Phycoviolobilin, blue light-absorbing form | | Formula: | C33 H42 N4 O6 | | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H42N4O6/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/h13,27,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-/t27-/m1/s1 | | Synonyms: | 3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyr
rol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | | Definition date: | 2012-08-28 | | Last modified: | 2024-09-27 | | Identifier: | 3-[5-[(3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-2-[[5-[(Z)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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 | | MDL | | Name: | [DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINE | | Formula: | C28 H29 F5 N4 O3 | | SMILES: | O=C(NC(C(=O)C(F)(F)C(F)(F)F)Cc2c1ccccc1nc2)C4N(C(=O)C(NC)Cc3ccccc3)CCC4 | | InChi: | InChI=1S/C28H29F5N4O3/c1-34-22(14-17-8-3-2-4-9-17)26(40)37-13-7-12-23(37)25(39)36-21(24(38)27(29,30)28(31,32)33)15-18-16-35-20-11-6-5-10-19(18)20/h2-6,8-11,16,21-23,34-35H,7,12-15H2,1H3,(H,36,39)/t21-,22+,23-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-methyl-D-phenylalanyl-N-[(2S)-4,4,5,5,5-pentafluoro-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-L-prolinamide |
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 | | QVE | | Name: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid | | Formula: | C12 H10 N2 O5 | | SMILES: | Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O | | InChi: | InChI=1S/C12H10N2O5/c13-7-3-1-2-6-9(19-5-10(15)16)4-8(12(17)18)14-11(6)7/h1-4H,5,13H2,(H,15,16)(H,17,18) | | Definition date: | 2016-05-24 | | Last modified: | 2024-09-27 | | Release date: | 2017-03-01 | | Identifier: | 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid |
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 | | UVQ | | Name: | 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde | | Formula: | C16 H14 F N O3 S | | SMILES: | Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2 | | Definition date: | 2021-03-23 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
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 | | TQW | | Name: | 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde | | Formula: | C17 H17 N O4 S | | SMILES: | COc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C17H17NO4S/c1-22-15-6-9-17-14(11-15)3-2-10-18(17)23(20,21)16-7-4-13(12-19)5-8-16/h4-9,11-12H,2-3,10H2,1H3 | | Definition date: | 2021-01-13 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
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 | | UVZ | | Name: | 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde | | Formula: | C16 H14 Cl N O3 S | | SMILES: | Clc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H14ClNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2 | | Definition date: | 2021-03-23 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-09 | | Identifier: | 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
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 | | VS1 | | Name: | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]-PHENYLALANINYL-AMINO]-5- PHENYL-PENTANE-1-SULFONYLBENZENE | | Formula: | C31 H37 N3 O5 S | | SMILES: | O=C(NC(C(=O)NC(CCc1ccccc1)CCS(=O)(=O)c2ccccc2)Cc3ccccc3)N4CCOCC4 | | InChi: | InChI=1S/C31H37N3O5S/c35-30(29(24-26-12-6-2-7-13-26)33-31(36)34-19-21-39-22-20-34)32-27(17-16-25-10-4-1-5-11-25)18-23-40(37,38)28-14-8-3-9-15-28/h1-15,27,29H,16-24H2,(H,32,35)(H,33,36)/t27-,29-/m0/s1 | | Definition date: | 2000-06-07 | | Last modified: | 2024-09-27 | | Identifier: | Nalpha-(morpholin-4-ylcarbonyl)-N-{(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-L-phenylalaninamide |
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 | | PPB | | Name: | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID | | Formula: | C23 H27 B N4 O4 | | SMILES: | O=C(NC(B(O)O)Cc1cccc(C#N)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | | InChi: | InChI=1S/C23H27BN4O4/c25-15-18-9-4-8-17(12-18)14-21(24(31)32)27-22(29)20-10-5-11-28(20)23(30)19(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19-21,31-32H,5,10-11,13-14,26H2,(H,27,29)/t19-,20+,21+/m1/s1 | | Synonyms: | (D)PHE-PRO-BOROPHE(M-CN) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | D-phenylalanyl-N-[(1R)-2-(3-cyanophenyl)-1-(dihydroxyboranyl)ethyl]-L-prolinamide |
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 | | T29 | | Name: | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | | Formula: | C22 H34 B N5 O5 S | | SMILES: | O=C(NC(B(O)O)CCCSC(=[N@H])N)C2N(C(=O)C(NC(=O)CC)Cc1ccccc1)CCC2 | | InChi: | InChI=1S/C22H34BN5O5S/c1-2-19(29)26-16(14-15-8-4-3-5-9-15)21(31)28-12-6-10-17(28)20(30)27-18(23(32)33)11-7-13-34-22(24)25/h3-5,8-9,16-18,32-33H,2,6-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t16-,17+,18+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-propanoyl-D-phenylalanyl-N-[(1R)-4-(carbamimidoylsulfanyl)-1-(dihydroxyboranyl)butyl]-L-prolinamide |
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 | | OFH | | Name: | (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide | | Formula: | C23 H24 Cl F6 N3 O5 S | | SMILES: | O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)(F)F)CC3)C4 | | InChi: | InChI=1S/C23H24ClF6N3O5S/c1-12(22(25,26)27)38-13-2-3-17(15(24)8-13)39(36,37)14-9-16(18(34)32-20(11-31)4-5-20)33(10-14)19(35)21(6-7-21)23(28,29)30/h2-3,8,11-12,14,16,31H,4-7,9-10H2,1H3,(H,32,34)/b31-11+/t12-,14+,16-/m0/s1 | | Definition date: | 2013-05-28 | | Last modified: | 2024-09-27 | | Release date: | 2014-06-11 | | Identifier: | (4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide |
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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: | 2024-09-27 | | Identifier: | 1-formyl-L-tryptophan |
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 | | PPJ | | Name: | N-(HYDROXY{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)NORVALINE | | Formula: | C13 H19 N2 O8 P | | SMILES: | O=C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CC(O)C | | InChi: | InChI=1S/C13H19N2O8P/c1-7(16)3-11(13(18)19)15-5-10-9(6-23-24(20,21)22)4-14-8(2)12(10)17/h4-5,7,11,16-17H,3,6H2,1-2H3,(H,18,19)(H2,20,21,22)/b15-5+/t7-,11-/m0/s1 | | Definition date: | 2000-09-26 | | Last modified: | 2024-09-27 | | Identifier: | (E,4S)-4-hydroxy-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-norvaline |
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 | | MES | | Name: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | | Formula: | C6 H13 N O4 S | | SMILES: | [O-]S(=O)(=O)CC[NH+]1CCOCC1 | | InChi: | InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-morpholin-4-ium-4-ylethanesulfonate |
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 | | TBE | | Name: | TAZOBACTAM INTERMEDIATE | | Formula: | C10 H14 N4 O5 S | | SMILES: | O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)N/C=CC=O | | InChi: | InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2-/t8-,10-/m0/s1 | | Definition date: | 2004-07-28 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-(dioxidosulfanyl)-N-[(1Z)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine |
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 | | N7P | | Name: | 1-ACETYL-L-PROLINE | | Formula: | C7 H11 N O3 | | SMILES: | OC(=O)C1N(C(=O)C)CCC1 | | InChi: | InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1 | | Synonyms: | N-ACETYLPROLINE | | Definition date: | 2003-02-21 | | Last modified: | 2024-09-27 | | Identifier: | 1-acetyl-L-proline |
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 | | TBI | | Name: | TAZOBACTAM TRANS-ENAMINE INTERMEDIATE | | Formula: | C10 H14 N4 O5 S | | SMILES: | O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)NC=CC=O | | InChi: | InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2+/t8-,10-/m0/s1 | | Definition date: | 2003-11-20 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-(dioxidosulfanyl)-N-[(1E)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine |
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