 | | A1AEZ | | Name: | 1-cyclopropyl-7-[(4-{[3-({(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-14-[({3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-yn-1-yl}oxy)imino]-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl}oxy)-3-oxopropyl]amino}butyl)amino]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name) | | Formula: | C61 H84 F N7 O16 | | SMILES: | O=C(O)C1=CN(C2CC2)c2cc(NCCCCNCCC(=O)OC3C(C)C(=O)OC(CC)C4(C)OC(=O)OC4C(C)C(=NOCC#Cc4cc(cnc4)C(=O)NC)C(C)CC(C)(OC)C(OC4OC(C)CC(N(C)C)C4O)C3C)c(F)cc2C1=O | | InChi: | InChI=1S/C61H84FN7O16/c1-13-47-61(8)54(84-59(77)85-61)35(4)49(67-79-24-16-17-38-26-39(31-65-30-38)55(73)63-9)33(2)29-60(7,78-12)53(83-58-51(72)46(68(10)11)25-34(3)80-58)36(5)52(37(6)57(76)81-47)82-48(70)20-23-64-21-14-15-22-66-44-28-45-41(27-43(44)62)50(71)42(56(74)75)32-69(45)40-18-19-40/h26-28,30-37,40,46-47,51-54,58,64,66,72H,13-15,18-25,29H2,1-12H3,(H,63,73)(H,74,75)/b67-49+/t33-,34-,35+,36+,37-,46+,47-,51-,52+,53-,54-,58+,60-,61-/m1/s1 | | Synonyms: | macrolone MCX-66 | | Definition date: | 2024-02-16 | | Last modified: | 2024-08-02 | | Release date: | 2024-08-07 | | Identifier: | 1-cyclopropyl-7-[(4-{[3-({(3aR,4R,7R,8S,9S,10R,11R,13R,14E,15S,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-14-[({3-[5-(methylcarbamoyl)pyridin-3-yl]prop-2-yn-1-yl}oxy)imino]-2,6-dioxododecahydro-2H,4H-[1,3]dioxolo[4,5-c]oxacyclotetradecin-8-yl}oxy)-3-oxopropyl]amino}butyl)amino]-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (non-preferred name) |
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 | | ZKR | | Name: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid | | Formula: | C5 H4 B F3 O2 S | | SMILES: | FC(F)(F)c1ccc(s1)B(O)O | | InChi: | InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H | | Definition date: | 2023-06-28 | | Last modified: | 2024-07-12 | | Release date: | 2024-07-17 | | Identifier: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid |
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 | | Q9F | | Name: | 4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid | | Formula: | C25 H18 Cl N O5 S | | SMILES: | OC(=O)c1c(O)cc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4 | | InChi: | InChI=1S/C25H18ClNO5S/c26-20-10-6-18(7-11-20)19-14-22(24(25(29)30)23(28)15-19)27-33(31,32)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30) | | Definition date: | 2023-03-28 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | 4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid |
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 | | VOO | | Name: | 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide | | Formula: | C26 H26 F N5 O2 | | SMILES: | CNc1cc(F)cc2cc([nH]c12)C(=O)N3CCc4ccc(cc4C3)C(=O)NCCn5cccc5 | | InChi: | InChI=1S/C26H26FN5O2/c1-28-22-15-21(27)13-19-14-23(30-24(19)22)26(34)32-10-6-17-4-5-18(12-20(17)16-32)25(33)29-7-11-31-8-2-3-9-31/h2-5,8-9,12-15,28,30H,6-7,10-11,16H2,1H3,(H,29,33) | | Definition date: | 2023-08-02 | | Last modified: | 2023-12-01 | | Release date: | 2023-12-06 | | Identifier: | 2-[[5-fluoranyl-7-(methylamino)-1~{H}-indol-2-yl]carbonyl]-~{N}-(2-pyrrol-1-ylethyl)-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide |
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 | | SRM | | Name: | SIROHEME | | Formula: | C42 H44 Fe N4 O16 | | SMILES: | O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O | | InChi: | InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-29 | | Identifier: | {3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron |
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 | | TI6 | | Name: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol | | Formula: | C8 H17 N O3 S | | SMILES: | CC1CCCN(C1CO)S(=O)(C)=O | | InChi: | InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1 | | Definition date: | 2023-08-28 | | Last modified: | 2023-11-24 | | Release date: | 2023-11-29 | | Identifier: | [(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol |
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 | | KPI | | Name: | (2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid | | Formula: | C9 H16 N2 O4 | | SMILES: | OC(C(N)CCCCN=C(/C)C(O)=O)=O | | InChi: | InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1 | | Definition date: | 2008-07-25 | | Last modified: | 2023-11-11 | | Identifier: | (E)-N~6~-(1-carboxyethylidene)-L-lysine |
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 | | XCP | | Name: | (1S,2S)-2-aminocyclopentanecarboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1CCCC1N | | InChi: | InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1 | | Definition date: | 2008-02-05 | | Last modified: | 2023-11-03 | | Identifier: | (1S,2S)-2-aminocyclopentanecarboxylic acid |
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 | | YCP | | Name: | (2S)-piperidine-2-carboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | OC(=O)[CH]1CCCCN1 | | InChi: | InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 | | Definition date: | 2010-01-07 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-piperidine-2-carboxylic acid |
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 | | ZYJ | | Name: | (4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O5 | | SMILES: | O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2 | | InChi: | InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1 | | Definition date: | 2010-10-22 | | Last modified: | 2023-11-03 | | Identifier: | (4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline |
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 | | ZYK | | Name: | (4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O6 | | SMILES: | O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2 | | InChi: | InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1 | | Synonyms: | 3,4-dimethoxybenzamidoxy proline | | Definition date: | 2010-10-22 | | Last modified: | 2023-11-03 | | Identifier: | (4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline |
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 | | TLY | | Name: | (2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid | | Formula: | C8 H16 N2 O2 S | | SMILES: | O=C(O)C(N)CCCCNC(=S)C | | InChi: | InChI=1S/C8H16N2O2S/c1-6(13)10-5-3-2-4-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1 | | Synonyms: | 6-N-thiolacetyl-L-lysine | | Definition date: | 2010-03-04 | | Last modified: | 2023-11-03 | | Identifier: | N~6~-ethanethioyl-L-lysine |
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 | | KBE | | Name: | beta-lysine | | Formula: | C6 H14 N2 O2 | | SMILES: | NCCC[CH](N)CC(O)=O | | InChi: | InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 | | Synonyms: | (3S)-3,6-diaminohexanoic acid | | Definition date: | 2010-02-05 | | Last modified: | 2023-11-03 | | Identifier: | (3S)-3,6-bis(azanyl)hexanoic acid |
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 | | XPL | | Name: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine | | Formula: | C12 H24 N4 O3 | | SMILES: | O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C | | InChi: | InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1 | | Synonyms: | 4-amino reduced pyrrolysine | | Definition date: | 2014-07-30 | | Last modified: | 2023-11-03 | | Identifier: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine |
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 | | 0AR | | Name: | N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide | | Formula: | C8 H16 N4 O3 | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NC(=O)C | | InChi: | InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1 | | Definition date: | 2009-07-10 | | Last modified: | 2023-11-03 | | Identifier: | N~5~-(N-acetylcarbamimidoyl)-L-ornithine |
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 | | ZUK | | Name: | 5-pyrimidin-2-yl-D-norvaline | | Formula: | C9 H13 N3 O2 | | SMILES: | O=C(O)C(N)CCCc1ncccn1 | | InChi: | InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1 | | Definition date: | 2009-07-31 | | Last modified: | 2023-11-03 | | Identifier: | 5-pyrimidin-2-yl-D-norvaline |
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 | | PDF | | Name: | 4,4-difluoro-L-proline | | Formula: | C5 H7 F2 N O2 | | SMILES: | O=C(O)C1NCC(F)(F)C1 | | InChi: | InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)/t3-/m0/s1 | | Definition date: | 2008-10-07 | | Last modified: | 2023-11-03 | | Release date: | 2015-06-17 | | Identifier: | 4,4-difluoro-L-proline |
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 | | QDI | | Name: | 6-fluoroquinolin-4-amine | | Formula: | C9 H7 F N2 | | SMILES: | Fc1ccc2nccc(N)c2c1 | | InChi: | InChI=1S/C9H7FN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12) | | Definition date: | 2022-06-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 6-fluoroquinolin-4-amine |
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 | | KPF | | Name: | N-(1-carboxy-2-fluoro-ethenyl) lysine | | Formula: | C9 H15 F N2 O4 | | SMILES: | N[CH](CCCCN=C(CF)C(O)=O)C(O)=O | | InChi: | InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1 | | Definition date: | 2015-07-15 | | Last modified: | 2023-11-03 | | Release date: | 2015-11-18 | | Identifier: | (2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid |
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 | | SLL | | Name: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid | | Formula: | C10 H18 N2 O5 | | SMILES: | O=C(O)C(N)CCCCNC(=O)CCC(=O)O | | InChi: | InChI=1S/C10H18N2O5/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | | Synonyms: | 6-N-succinyl-L-lysine | | Definition date: | 2010-03-04 | | Last modified: | 2023-11-03 | | Identifier: | N~6~-(3-carboxypropanoyl)-L-lysine |
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 | | KYQ | | Name: | (E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine | | Formula: | C9 H16 N2 O5 | | SMILES: | O=C(O)C(N)CCCC/N=C(/C(=O)O)CO | | InChi: | InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1 | | Definition date: | 2008-04-04 | | Last modified: | 2023-11-03 | | Identifier: | (E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine |
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 | | LCK | | Name: | (Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine | | Formula: | C10 H18 N2 O4 | | SMILES: | O=C(O)CC(=N/CCCCC(N)C(=O)O)C | | InChi: | InChI=1S/C10H18N2O4/c1-7(6-9(13)14)12-5-3-2-4-8(11)10(15)16/h8H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-7-/t8-/m0/s1 | | Definition date: | 2008-02-15 | | Last modified: | 2023-11-03 | | Identifier: | (Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine |
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 | | LGY | | Name: | (E)-N~6~-(4-oxobutylidene)-L-lysine | | Formula: | C10 H18 N2 O3 | | SMILES: | O=C(O)C(N)CCCC/N=C/CCC=O | | InChi: | InChI=1S/C10H18N2O3/c11-9(10(14)15)5-1-2-6-12-7-3-4-8-13/h7-9H,1-6,11H2,(H,14,15)/b12-7+/t9-/m0/s1 | | Definition date: | 2010-07-16 | | Last modified: | 2023-11-03 | | Identifier: | (E)-N~6~-(4-oxobutylidene)-L-lysine |
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 | | LYF | | Name: | (2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid | | Formula: | C13 H22 N2 O7 | | SMILES: | O=C(O)C(N)CCCC/N=C(/C(=O)O)CC(O)CCC(=O)O | | InChi: | InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9-/m0/s1 | | Definition date: | 2011-10-25 | | Last modified: | 2023-11-03 | | Identifier: | (2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid |
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 | | LYJ | | Name: | (2S)-2,6-diaminohexan-1-ol | | Formula: | C6 H16 N2 O | | SMILES: | OCC(N)CCCCN | | InChi: | InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1 | | Definition date: | 2012-01-18 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2,6-diaminohexan-1-ol |
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