 | | Q75 | | Name: | 3-(1,3-Thiazol-5-yl)-L-alanine | | Formula: | C6 H8 N2 O2 S | | SMILES: | N[CH](Cc1scnc1)C(O)=O | | InChi: | InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-8-3-11-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid | | Definition date: | 2020-05-26 | | Last modified: | 2023-11-03 | | Release date: | 2021-04-28 | | Identifier: | (2~{S})-2-azanyl-3-(1,3-thiazol-5-yl)propanoic acid |
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 | | S7C | | Name: | 1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C28 H27 Cl N4 O3 S | | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2CC)c1cncc2ccccc21 | | InChi: | InChI=1S/C28H27ClN4O3S/c1-2-21-15-33(25-13-31-12-19-5-3-4-6-23(19)25)26(34)28(21)17-32(14-20-7-8-22(29)11-24(20)28)37(35,36)18-27(16-30)9-10-27/h3-8,11-13,21H,2,9-10,14-15,17-18H2,1H3/t21-,28-/m0/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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 | | T17 | | Name: | {[4-(1-{3-[(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]propyl}-1H-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid | | Formula: | C42 H68 N6 O13 | | SMILES: | O=C(O)CNC(=O)CCCc1nnn(c1)CCCN3C(=O)OC4(C(OC(=O)C(C(=O)C(C(OC2OC(C)CC(N(C)C)C2O)C(OC)(C)CC(C(=O)C(C)C34)C)C)C)CC)C | | InChi: | InChI=1S/C42H68N6O13/c1-12-30-42(8)36(48(40(56)61-42)18-14-17-47-22-28(44-45-47)15-13-16-31(49)43-21-32(50)51)25(4)33(52)23(2)20-41(7,57-11)37(26(5)34(53)27(6)38(55)59-30)60-39-35(54)29(46(9)10)19-24(3)58-39/h22-27,29-30,35-37,39,54H,12-21H2,1-11H3,(H,43,49)(H,50,51)/t23-,24-,25+,26+,27-,29+,30-,35-,36-,37-,39+,41-,42-/m1/s1 | | Definition date: | 2014-05-10 | | Last modified: | 2023-11-03 | | Release date: | 2014-10-01 | | Identifier: | {[4-(1-{3-[(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]propyl}-1H-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid (non-preferred name) |
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 | | VI3 | | Name: | (2~{R})-2-azanyl-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]propanoic acid | | Formula: | C3 H6 N O4 S | | SMILES: | N[CH](C[S-](=O)=O)C(O)=O | | InChi: | InChI=1S/C3H6NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)/q-1/t2-/m0/s1 | | Definition date: | 2023-03-07 | | Last modified: | 2023-11-03 | | Release date: | 2023-03-15 | | Identifier: | (2~{R})-2-azanyl-3-sulfinato-propanoic acid |
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 | | Q78 | | Name: | L-3-Thienylalanine | | Formula: | C7 H9 N O2 S | | SMILES: | N[CH](Cc1cscc1)C(O)=O | | InChi: | InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1 | | Synonyms: | (2S)-2-azanyl-3-thiophen-3-yl-propanoic acid | | Definition date: | 2020-05-26 | | Last modified: | 2023-11-03 | | Release date: | 2021-04-28 | | Identifier: | (2~{S})-2-azanyl-3-thiophen-3-yl-propanoic acid |
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 | | PSA | | Name: | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | | Formula: | C11 H15 N O3 | | SMILES: | O=C(O)CC(O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | 4-amino-2,4,5-trideoxy-5-phenyl-L-threo-pentonic acid |
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 | | Q7C | | Name: | N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide | | Formula: | C9 H16 N2 O4 S | | SMILES: | O=S1(=O)CCC(C1)N(CCC(N)=O)C(C)=O | | InChi: | InChI=1S/C9H16N2O4S/c1-7(12)11(4-2-9(10)13)8-3-5-16(14,15)6-8/h8H,2-6H2,1H3,(H2,10,13)/t8-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide |
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 | | RFR | | Name: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H24 Cl N5 O4 S | | SMILES: | CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC | | InChi: | InChI=1S/C23H24ClN5O4S/c1-25-22(30)13-29-11-15-3-5-16(24)7-18(15)20(12-29)23(31)27-21-10-26-9-14-4-6-17(8-19(14)21)28-34(2,32)33/h3-10,20,28H,11-13H2,1-2H3,(H,25,30)(H,27,31)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | T1F | | Name: | (4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide | | Formula: | C40 H45 N7 O4 | | SMILES: | CN1[CH](CN(C1=O)C2=CC=CN([CH](c3ccc(C)cc3)c4cn(nc4c5ccccc5C)C6CCCC6)C2=O)C(=O)NC78CCC(CC7)NC8=O | | InChi: | InChI=1S/C40H45N7O4/c1-25-14-16-27(17-15-25)35(31-23-47(29-10-5-6-11-29)43-34(31)30-12-7-4-9-26(30)2)45-22-8-13-32(37(45)49)46-24-33(44(3)39(46)51)36(48)42-40-20-18-28(19-21-40)41-38(40)50/h4,7-9,12-17,22-23,28-29,33,35H,5-6,10-11,18-21,24H2,1-3H3,(H,41,50)(H,42,48)/t28-,33-,35+,40-/m1/s1 | | Definition date: | 2023-04-19 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4~{R})-1-[1-[(~{S})-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-~{N}-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide |
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 | | PSH | | Name: | 1-thiophosphono-L-histidine | | Formula: | C6 H10 N3 O4 P S | | SMILES: | O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O | | InChi: | InChI=1S/C6H10N3O4PS/c7-5(6(10)11)1-4-2-9(3-8-4)14(12,13)15/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,15)/t5-/m0/s1 | | Definition date: | 2007-09-28 | | Last modified: | 2023-11-03 | | Identifier: | 1-thiophosphono-L-histidine |
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 | | QN9 | | Name: | (4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C28 H31 Cl N4 O4 | | SMILES: | OCCCN1CCN(CC1)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21 | | InChi: | InChI=1S/C28H31ClN4O4/c29-21-6-7-25-23(16-21)28(8-15-37-25,17-26(35)33-12-10-32(11-13-33)9-3-14-34)27(36)31-24-19-30-18-20-4-1-2-5-22(20)24/h1-2,4-7,16,18-19,34H,3,8-15,17H2,(H,31,36)/t28-/m0/s1 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | O4L | | Name: | N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide | | Formula: | C17 H16 N4 O3 | | SMILES: | CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3ccccc32)c1C | | InChi: | InChI=1S/C17H16N4O3/c1-9-8-14(11(3)22)10(2)21(9)20-17(24)15-12-6-4-5-7-13(12)16(23)19-18-15/h4-8H,1-3H3,(H,19,23)(H,20,24) | | Definition date: | 2023-08-16 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
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 | | OK9 | | Name: | N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide | | Formula: | C16 H16 N2 O3 S2 | | SMILES: | O=CC(NC(=O)c1cccs1)=Cc1ccc(s1)N1CCOCC1 | | InChi: | InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10- | | Definition date: | 2023-08-17 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide |
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 | | PDW | | Name: | methyl D-prolinate | | Formula: | C6 H11 N O2 | | SMILES: | O=C(OC)C1NCCC1 | | InChi: | InChI=1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3/t5-/m1/s1 | | Definition date: | 2011-11-30 | | Last modified: | 2023-11-03 | | Release date: | 2012-11-16 | | Identifier: | methyl D-prolinate |
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 | | Q7R | | Name: | 1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one | | Formula: | C19 H22 N2 O | | SMILES: | CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C19H22N2O/c1-16(22)20-12-14-21(15-13-20)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3 | | Definition date: | 2023-08-18 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one |
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 | | S7U | | Name: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile | | Formula: | C27 H25 Cl N4 O3 S | | SMILES: | N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(CCCN(C2=O)c2cncc3ccccc32)C1 | | InChi: | InChI=1S/C27H25ClN4O3S/c28-21-7-6-20-15-31(36(34,35)18-26(16-29)9-10-26)17-27(23(20)12-21)8-3-11-32(25(27)33)24-14-30-13-19-4-1-2-5-22(19)24/h1-2,4-7,12-14H,3,8-11,15,17-18H2/t27-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
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 | | RG3 | | Name: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H21 Cl N4 O5 S | | SMILES: | CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21 | | InChi: | InChI=1S/C23H21ClN4O5S/c1-25-21(29)12-28-11-19(18-8-14(24)3-5-17(18)23(28)31)22(30)27-20-10-26-9-13-7-15(34(2,32)33)4-6-16(13)20/h3-10,19H,11-12H2,1-2H3,(H,25,29)(H,27,30)/t19-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | KHB | | Name: | N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine | | Formula: | C10 H20 N2 O4 | | SMILES: | NC(C(O)=O)CCCCNC(=O)CC(O)C | | InChi: | InChI=1S/C10H20N2O4/c1-7(13)6-9(14)12-5-3-2-4-8(11)10(15)16/h7-8,13H,2-6,11H2,1H3,(H,12,14)(H,15,16)/t7-,8-/m0/s1 | | Definition date: | 2018-02-05 | | Last modified: | 2023-11-03 | | Release date: | 2019-02-06 | | Identifier: | N~6~-[(3S)-3-hydroxybutanoyl]-L-lysine |
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 | | TVA | | Name: | N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline | | Formula: | C13 H22 N2 O3 S | | SMILES: | O=C(O)C(NCC(O)C(N)Cc1sccc1)CCC | | InChi: | InChI=1S/C13H22N2O3S/c1-2-4-11(13(17)18)15-8-12(16)10(14)7-9-5-3-6-19-9/h3,5-6,10-12,15-16H,2,4,7-8,14H2,1H3,(H,17,18)/t10-,11-,12+/m0/s1 | | Definition date: | 2014-06-24 | | Last modified: | 2023-11-03 | | Release date: | 2015-07-01 | | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline |
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 | | PSW | | Name: | 3-(SULFANYLSELANYL)-L-ALANINE | | Formula: | C3 H7 N O2 S Se | | SMILES: | O=C(O)C(N)C[Se]S | | InChi: | InChI=1S/C3H7NO2SSe/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | | Definition date: | 2009-08-07 | | Last modified: | 2023-11-03 | | Identifier: | 3-(sulfanylselanyl)-L-alanine |
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 | | OMT | | Name: | S-DIOXYMETHIONINE | | Formula: | C5 H11 N O4 S | | SMILES: | O=S(=O)(C)CCC(C(=O)O)N | | InChi: | InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-4-(methylsulfonyl)butanoic acid |
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 | | RG9 | | Name: | 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide | | Formula: | C20 H19 Cl N2 O2 | | SMILES: | Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(C)(C)O | | InChi: | InChI=1S/C20H19ClN2O2/c1-20(2,25)15-6-7-17-14(10-15)11-22-12-18(17)23-19(24)9-13-4-3-5-16(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24) | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | 2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide |
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 | | R2L | | Name: | (4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide | | Formula: | C17 H18 Cl N3 O2 | | SMILES: | Cc1c(NC)cncc1NC(=O)C1CCOc2ccc(Cl)cc21 | | InChi: | InChI=1S/C17H18ClN3O2/c1-10-14(19-2)8-20-9-15(10)21-17(22)12-5-6-23-16-4-3-11(18)7-13(12)16/h3-4,7-9,12,19H,5-6H2,1-2H3,(H,21,22)/t12-/m1/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
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 | | 0CS | | Name: | 3-[(S)-HYDROPEROXYSULFINYL]-L-ALANINE | | Formula: | C3 H7 N O5 S | | SMILES: | O=C(O)C(N)CS(=O)OO | | InChi: | InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(8)9-7/h2,7H,1,4H2,(H,5,6)/t2-,10-/m0/s1 | | Definition date: | 2007-01-19 | | Last modified: | 2023-11-03 | | Identifier: | 3-[(S)-hydroperoxysulfinyl]-L-alanine |
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 | | OMX | | Name: | (betaR)-beta-hydroxy-L-Tyrosine | | Formula: | C9 H11 N O4 | | SMILES: | O=C(O)C(N)C(O)c1ccc(O)cc1 | | InChi: | InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1 | | Definition date: | 2010-08-10 | | Last modified: | 2023-11-03 | | Identifier: | (betaR)-beta-hydroxy-L-tyrosine |
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