 | SD6 | Name: | [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Formula: | C25 H44 N3 O8 S | SMILES: | CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O | InChi: | InChI=1S/C25H43N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h15-21,24,31H,3-14H2,1-2H3,(H4-,26,27,28,29,30,32,33,34,35)/p+1/t17-,18+,19-,20-,21-,24+/m0/s1 | Definition date: | 2022-06-29 | Last modified: | 2024-09-27 | Release date: | 2022-07-06 | Identifier: | [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate |
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 | ZFJ | Name: | (4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine | Formula: | C22 H27 N | SMILES: | CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)C=CC | InChi: | InChI=1S/C22H27N/c1-6-9-16-10-12-18-19-13-11-17(23(7-2)8-3)15-21(19)22(4,5)20(18)14-16/h6,9-15H,7-8H2,1-5H3/b9-6+ | Definition date: | 2021-04-16 | Last modified: | 2024-09-27 | Release date: | 2022-01-12 | Identifier: | (4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine |
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 | UEP | Name: | 6-ethyluridine 5'-phosphate | Formula: | C11 H17 N2 O9 P | SMILES: | O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O)(O)O | InChi: | InChI=1S/C11H17N2O9P/c1-2-5-3-7(14)12-11(17)13(5)10-9(16)8(15)6(22-10)4-21-23(18,19)20/h3,6,8-10,15-16H,2,4H2,1H3,(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1 | Synonyms: | 6-ethyl-UMP | Definition date: | 2008-10-23 | Last modified: | 2024-09-27 | Identifier: | 6-ethyluridine 5'-(dihydrogen phosphate) |
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 | ZFP | Name: | 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine | Formula: | C17 H19 N S | SMILES: | C/C(=CC)c1ccc(s1)c1ccc(cc1)N1CCC1 | InChi: | InChI=1S/C17H19NS/c1-3-13(2)16-9-10-17(19-16)14-5-7-15(8-6-14)18-11-4-12-18/h3,5-10H,4,11-12H2,1-2H3/b13-3+ | Definition date: | 2021-04-17 | Last modified: | 2024-09-27 | Release date: | 2022-01-12 | Identifier: | 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine |
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 | YTH | Name: | O-phosphono-L-allothreonine | Formula: | C4 H10 N O6 P | SMILES: | O=P(OC(C)C(N)C(=O)O)(O)O | InChi: | InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3-/m0/s1 | Definition date: | 2014-10-07 | Last modified: | 2024-09-27 | Release date: | 2014-12-03 | Identifier: | O-phosphono-L-allothreonine |
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 | R6E | Name: | (2~{R})-2-azanyl-2-ethyl-octanoic acid | Formula: | C10 H21 N O2 | SMILES: | CCCCCC[C](N)(CC)C(O)=O | InChi: | InChI=1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1 | Definition date: | 2019-05-03 | Last modified: | 2024-09-27 | Release date: | 2020-03-18 | Identifier: | (2~{R})-2-azanyl-2-ethyl-octanoic acid |
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 | US9 | Name: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide | Formula: | C15 H19 F3 N2 O4 S | SMILES: | O=S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 | InChi: | InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1 | Definition date: | 2022-08-24 | Last modified: | 2024-09-27 | Release date: | 2023-05-10 | Identifier: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide |
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 | 4M8 | Name: | (2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid | Formula: | C5 H12 N O5 P | SMILES: | O=P(CCC(C(O)=O)N)(O)OC | InChi: | InChI=1S/C5H12NO5P/c1-11-12(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1 | Definition date: | 2015-04-15 | Last modified: | 2024-09-27 | Release date: | 2015-06-03 | Identifier: | (2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid |
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 | T6M | Name: | 1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one | Formula: | C12 H15 Cl N2 O3 S | SMILES: | N1(CCN(CC1)C(C)=O)S(c2ccc(cc2)Cl)(=O)=O | InChi: | InChI=1S/C12H15ClN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3 | Definition date: | 2020-03-16 | Last modified: | 2024-09-27 | Release date: | 2020-03-25 | Identifier: | 1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one |
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 | V61 | Name: | 2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine | Formula: | C9 H6 F4 I N O2 | SMILES: | c1(c(c(c(c(c1F)CC(N)C(O)=O)F)F)I)F | InChi: | InChI=1S/C9H6F4INO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)/t3-/m0/s1 | Definition date: | 2020-07-06 | Last modified: | 2024-09-27 | Release date: | 2021-07-07 | Identifier: | 2,3,5,6-tetrafluoro-4-iodo-L-phenylalanine |
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 | USA | Name: | (E)-1-(1H-imidazol-2-yl)methanimine | Formula: | C4 H5 N3 | SMILES: | n1ccnc1/C=N | InChi: | InChI=1S/C4H5N3/c5-3-4-6-1-2-7-4/h1-3,5H,(H,6,7)/b5-3+ | Definition date: | 2020-05-28 | Last modified: | 2024-09-27 | Release date: | 2020-06-10 | Identifier: | (E)-1-(1H-imidazol-2-yl)methanimine |
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 | 4M9 | Name: | (4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide | Formula: | C18 H17 N5 O4 | SMILES: | O=C1/C(N=C(N1CC=O)/C(CCC(=O)N)=N)=C/c2cnc3ccccc23 | InChi: | InChI=1S/C18H17N5O4/c19-12(5-6-15(20)24)17-22-14(18(27)23(17)9-16(25)26)7-10-8-21-13-4-2-1-3-11(10)13/h1-4,7-8,19,21H,5-6,9H2,(H2,20,24)(H,25,26)/b14-7-,19-12+ | Synonyms: | CHROMOPHORE (GLN-TRP-GLY) | Definition date: | 2015-04-15 | Last modified: | 2024-09-27 | Release date: | 2015-12-23 | Identifier: | (4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide |
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 | OBF | Name: | (2S)-2-amino-4,4-difluorobutanoic acid | Formula: | C4 H7 F2 N O2 | SMILES: | FC(F)CC(N)C(=O)O | InChi: | InChI=1S/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)/t2-/m0/s1 | Definition date: | 2008-03-14 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-amino-4,4-difluorobutanoic acid |
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 | PYA | Name: | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | Formula: | C15 H13 N3 O2 | SMILES: | O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3 | InChi: | InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 3-(1,10-phenanthrolin-2-yl)-L-alanine |
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 | 4MA | Name: | 4-METHYLBENZOIC ACID | Formula: | C8 H8 O2 | SMILES: | O=C(O)c1ccc(cc1)C | InChi: | InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) | Synonyms: | P-METHYLBENZOIC ACID | Definition date: | 2006-07-26 | Last modified: | 2024-09-27 | Identifier: | 4-methylbenzoic acid |
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 | NHN | Name: | (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE | Formula: | C42 H56 N6 O9 | SMILES: | O=C(N(C)C)C(c1ccccc1)NC(=O)CNC(=O)C(=O)C(NC(=O)C2N3C(=O)C(NC(=O)CCc4cccc(OCCOC(C2)C3)c4)C5CCCCC5)CCC | InChi: | InChI=1S/C42H56N6O9/c1-4-12-32(38(51)40(53)43-25-35(50)46-36(41(54)47(2)3)28-14-7-5-8-15-28)44-39(52)33-24-31-26-48(33)42(55)37(29-16-9-6-10-17-29)45-34(49)20-19-27-13-11-18-30(23-27)56-21-22-57-31/h5,7-8,11,13-15,18,23,29,31-33,36-37H,4,6,9-10,12,16-17,19-22,24-26H2,1-3H3,(H,43,53)(H,44,52)(H,45,49)(H,46,50)/t31-,32+,33+,36+,37+/m1/s1 | Definition date: | 2006-05-11 | Last modified: | 2024-09-27 | Identifier: | (6R,8S,11S)-11-cyclohexyl-N-[(1S)-1-{[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino](oxo)acetyl}butyl]-10,13-dioxo-2,5-dioxa-9,12-diazatricyclo[14.3.1.1~6,9~]henicosa-1(20),16,18-triene-8-carboxamide |
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 | ZG0 | Name: | N-(3-methylphenyl)acetamide | Formula: | C9 H11 N O | SMILES: | O=C(C)Nc1cc(C)ccc1 | InChi: | InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11) | Definition date: | 2023-06-23 | Last modified: | 2024-09-27 | Release date: | 2023-07-12 | Identifier: | N-(3-methylphenyl)acetamide |
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 | USC | Name: | 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid | Formula: | C9 H9 N O6 S | SMILES: | O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C | InChi: | InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14) | Definition date: | 2011-12-08 | Last modified: | 2024-09-27 | Release date: | 2013-01-11 | Identifier: | 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid |
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 | W0B | Name: | diphenylmethyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | Formula: | C29 H35 N3 O5 | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OC(c1ccccc1)c1ccccc1)C2(C)C | InChi: | InChI=1S/C29H35N3O5/c1-29(2)22-16-32(24(23(22)29)27(35)31-21(17-33)15-20-13-14-30-26(20)34)28(36)37-25(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25,33H,13-17H2,1-2H3,(H,30,34)(H,31,35)/t20-,21+,22-,23-,24-/m0/s1 | Definition date: | 2023-09-21 | Last modified: | 2024-09-27 | Release date: | 2024-09-25 | Identifier: | diphenylmethyl (1R,2S,5R)-2-({(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate |
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 | USD | Name: | (E)-1-(pyrimidin-2-yl)methanimine | Formula: | C5 H5 N3 | SMILES: | n1cccnc1/C=N | InChi: | InChI=1S/C5H5N3/c6-4-5-7-2-1-3-8-5/h1-4,6H/b6-4+ | Definition date: | 2020-05-28 | Last modified: | 2024-09-27 | Release date: | 2020-06-10 | Identifier: | (E)-1-(pyrimidin-2-yl)methanimine |
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 | V64 | Name: | tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate | Formula: | C29 H48 N6 O7 | SMILES: | O=C(OC(C)(C)C)NC1C(=O)NC(C(NC(CCC(NCCCCc2nnc(CC1)o2)=O)CO)=O)CC3CCCCC3 | InChi: | InChI=1S/C29H48N6O7/c1-29(2,3)42-28(40)33-21-13-15-25-35-34-24(41-25)11-7-8-16-30-23(37)14-12-20(18-36)31-27(39)22(32-26(21)38)17-19-9-5-4-6-10-19/h19-22,36H,4-18H2,1-3H3,(H,30,37)(H,31,39)(H,32,38)(H,33,40)/t20-,21-,22-/m0/s1 | Definition date: | 2015-08-31 | Last modified: | 2024-09-27 | Release date: | 2016-02-10 | Identifier: | tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate |
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 | QS7 | Name: | N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide | Formula: | C23 H23 Cl2 N5 O5 | SMILES: | c13nc(ncc1C=C(c2c(c(OC)cc(c2Cl)OC)Cl)C(N3C)=O)NC4C(COC4)NC(=O)[C@H]=C | InChi: | InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1 | Definition date: | 2019-12-16 | Last modified: | 2024-09-27 | Release date: | 2020-03-25 | Identifier: | N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide |
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 | PYD | Name: | 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE | Formula: | C6 H9 N3 | SMILES: | n1c(N)c(cnc1C)C | InChi: | InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9) | Definition date: | 1999-09-13 | Last modified: | 2024-09-27 | Identifier: | 2,5-dimethylpyrimidin-4-amine |
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 | ZX0 | Name: | (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline | Formula: | C12 H22 N4 O6 S | SMILES: | O=S(=O)(O)NC2C(C(=O)O)N(C(=O)NC1CCCNCC1)CC2 | InChi: | InChI=1S/C12H22N4O6S/c17-11(18)10-9(15-23(20,21)22)4-7-16(10)12(19)14-8-2-1-5-13-6-3-8/h8-10,13,15H,1-7H2,(H,14,19)(H,17,18)(H,20,21,22)/t8-,9+,10-/m0/s1 | Definition date: | 2009-12-03 | Last modified: | 2024-09-27 | Identifier: | (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline |
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 | 4MC | Name: | (Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMID
E | Formula: | C29 H41 N7 O4 S | SMILES: | O=C(N1CCN(C)CC1)NC(C(=O)NC(/C=C/S(=O)(=O)c2ccccc2)CCc3ccccc3)CCCNC(=[N@H])N | InChi: | InChI=1S/C29H41N7O4S/c1-35-18-20-36(21-19-35)29(38)34-26(13-8-17-32-28(30)31)27(37)33-24(15-14-23-9-4-2-5-10-23)16-22-41(39,40)25-11-6-3-7-12-25/h2-7,9-12,16,22,24,26H,8,13-15,17-21H2,1H3,(H,33,37)(H,34,38)(H4,30,31,32)/b22-16+/t24-,26-/m0/s1 | Synonyms: | 4-METHYL-PIPERAZINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PHENETHYLALLYLCARBAMOYL)-4-GUANIDINO-BUTYL]-AMIDE | Definition date: | 2007-03-21 | Last modified: | 2024-09-27 | Identifier: | N~2~-[(4-methylpiperazin-1-yl)carbonyl]-N-[(1S,2E)-1-(2-phenylethyl)-3-(phenylsulfonyl)prop-2-en-1-yl]-L-argininamide |
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