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3I4
3I4
Name:(2S)-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide
Formula:C12 H18 N4 O6 S
SMILES:NC(=O)[CH](CO)NC(=O)CNOCc1ccc(cc1)[S](N)(=O)=O
InChi:InChI=1S/C12H18N4O6S/c13-12(19)10(6-17)16-11(18)5-15-22-7-8-1-3-9(4-2-8)23(14,20)21/h1-4,10,15,17H,5-7H2,(H2,13,19)(H,16,18)(H2,14,20,21)/t10-/m0/s1
Definition date:2021-06-25
Last modified:2023-01-13
Release date:2023-01-18
Identifier:(2~{S})-3-oxidanyl-2-[2-[(4-sulfamoylphenyl)methoxyamino]ethanoylamino]propanamide
81D
81D
Name:(S)-3-(Aminomethyl)-4-chloro-7-(2-hydroxyethoxy)benzo[c][1,2]oxaborol-1(3H)-ol
Formula:C20 H24 B Cl N6 O10 P
SMILES:NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCO)ccc(Cl)c16
InChi:InChI=1S/C20H24BClN6O10P/c22-9-1-2-10(33-4-3-29)14-13(9)11(5-23)36-21(14)37-16-12(6-34-39(30,31)32)35-20(17(16)38-21)28-8-27-15-18(24)25-7-26-19(15)28/h1-2,7-8,11-12,16-17,20,29H,3-6,23H2,(H2,24,25,26)(H2,30,31,32)/q-1/t11-,12-,16-,17-,20-,21+/m1/s1
Synonyms:[(1R,5S,6R,8R,9'S)-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloranyl-5'-(2-hydroxyethyloxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl dihydrogen phosphate
Definition date:2021-09-21
Last modified:2023-01-13
Release date:2023-01-18
Identifier:[(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-chloranyl-5'-(2-hydroxyethyloxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-6-yl]methyl dihydrogen phosphate
EX9
EX9
Name:3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide
Formula:C27 H33 F N6 O2 S
SMILES:CN(C)CCC[S](=O)(=O)N[CH]1CC[CH](CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc5[nH]ccc45
InChi:InChI=1S/C27H33FN6O2S/c1-33(2)16-3-17-37(35,36)32-21-8-10-22(11-9-21)34-18-31-25(19-4-6-20(28)7-5-19)26(34)23-12-14-29-27-24(23)13-15-30-27/h4-7,12-15,18,21-22,32H,3,8-11,16-17H2,1-2H3,(H,29,30)/t21-,22+
Definition date:2022-01-17
Last modified:2023-01-13
Release date:2023-01-18
Identifier:3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide
EYI
EYI
Name:4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine
Formula:C22 H21 F N4
SMILES:Fc1ccc(cc1)c2ncn(C3CCCCC3)c2c4ccnc5[nH]ccc45
InChi:InChI=1S/C22H21FN4/c23-16-8-6-15(7-9-16)20-21(18-10-12-24-22-19(18)11-13-25-22)27(14-26-20)17-4-2-1-3-5-17/h6-14,17H,1-5H2,(H,24,25)
Definition date:2022-01-17
Last modified:2023-01-13
Release date:2023-01-18
Identifier:4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine
EZQ
EZQ
Name:4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine
Formula:C22 H16 F N5
SMILES:Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45
InChi:InChI=1S/C22H16FN5/c23-17-3-1-16(2-4-17)20-21(18-7-11-25-22-19(18)8-12-26-22)28(14-27-20)13-15-5-9-24-10-6-15/h1-12,14H,13H2,(H,25,26)
Definition date:2022-01-17
Last modified:2023-01-13
Release date:2023-01-18
Identifier:4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine
CXI
CXI
Name:2-(3-phenyloxetan-3-yl)ethanamine
Formula:C11 H15 N O
SMILES:NCCC1(COC1)c2ccccc2
InChi:InChI=1S/C11H15NO/c12-7-6-11(8-13-9-11)10-4-2-1-3-5-10/h1-5H,6-9,12H2
Definition date:2022-04-06
Last modified:2023-01-13
Release date:2023-01-18
Identifier:2-(3-phenyloxetan-3-yl)ethanamine
F9I
F9I
Name:(2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
Formula:C35 H49 N3 O23 S2
SMILES:CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CN[S](=O)(=O)c4ccc5ccccc5c4)C(O)=O)[CH]2O)[CH]1O
InChi:InChI=1S/C35H49N3O23S2/c1-14(40)37-23-19(42)10-35(34(49)50,60-30(23)25(44)20(43)11-36-62(51,52)18-8-7-16-5-3-4-6-17(16)9-18)61-31-26(45)22(13-56-63(53,54)55)58-33(28(31)47)59-29-21(12-39)57-32(48)24(27(29)46)38-15(2)41/h3-9,19-33,36,39,42-48H,10-13H2,1-2H3,(H,37,40)(H,38,41)(H,49,50)(H,53,54,55)/t19-,20+,21+,22+,23+,24+,25+,26-,27+,28+,29+,30+,31-,32+,33-,35-/m0/s1
Definition date:2022-01-19
Last modified:2023-01-13
Release date:2023-01-18
Identifier:(2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
8BH
8BH
Name:5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile
Formula:C15 H10 N6
SMILES:Nc1[nH]nc(C(=Cc2c[nH]c3ccccc23)C#N)c1C#N
InChi:InChI=1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)/b9-5+
Synonyms:Tyrphostin AG 1112
Definition date:2022-03-04
Last modified:2023-01-13
Release date:2023-01-18
Identifier:5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile
I3L
I3L
Name:allyl-cysteine
Formula:C6 H11 N O2 S
SMILES:N[CH](CSCC=C)C(O)=O
InChi:InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
Definition date:2022-02-10
Last modified:2023-01-13
Release date:2023-01-18
Identifier:(2~{R})-2-azanyl-3-prop-2-enylsulfanyl-propanoic acid
I5D
I5D
Name:2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide
Formula:C19 H17 N5 O2 S
SMILES:NC(=O)CSc1nc(N)c(C#N)c(c2ccc(OCC3CC3)cc2)c1C#N
InChi:InChI=1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)
Definition date:2022-06-09
Last modified:2023-01-13
Release date:2023-01-18
Identifier:2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide
I5Q
I5Q
Name:(2S)-butane-1,2-diol
Formula:C4 H10 O2
SMILES:CCC(O)CO
InChi:InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
Definition date:2022-01-13
Last modified:2023-01-13
Release date:2023-01-18
Identifier:(2S)-butane-1,2-diol
I5Y
I5Y
Name:(6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide
Formula:C43 H52 N8 O6 S
SMILES:NCc1ccc(cc1)CNC(=O)C1Cc2ccc(NC(=O)CCN3CCN(CCCC(=O)Nc4ccc(CC(NS(=O)(=O)c5ccccc5)C(=O)N1)cc4)CC3)cc2
InChi:InChI=1S/C43H52N8O6S/c44-29-33-8-10-34(11-9-33)30-45-42(54)38-27-31-12-16-36(17-13-31)47-41(53)20-22-51-25-23-50(24-26-51)21-4-7-40(52)46-35-18-14-32(15-19-35)28-39(43(55)48-38)49-58(56,57)37-5-2-1-3-6-37/h1-3,5-6,8-19,38-39,49H,4,7,20-30,44H2,(H,45,54)(H,46,52)(H,47,53)(H,48,55)/t38-,39+/m0/s1
Definition date:2022-01-13
Last modified:2023-01-13
Release date:2023-01-18
Identifier:(6S,9R,20R,23S)-N-{[4-(aminomethyl)phenyl]methyl}-20-[(benzenesulfonyl)amino]-3,13,21-trioxo-2,6,9,14,22-pentaazatetracyclo[23.2.2.2~6,9~.2~15,18~]tritriaconta-1(27),15,17,25,28,30-hexaene-23-carboxamide
E7I
E7I
Name:benzoselenoate
Formula:C7 H6 O Se
SMILES:[SeH]C(=O)c1ccccc1
InChi:InChI=1S/C7H6OSe/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Definition date:2022-01-04
Last modified:2023-01-13
Release date:2023-01-18
Identifier:benzenecarboselenoic Se-acid
EIQ
EIQ
Name:~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
Formula:C18 H16 N2 O2 S
SMILES:O=[S](=O)(Nc1ccc(Cc2ccncc2)cc1)c3ccccc3
InChi:InChI=1S/C18H16N2O2S/c21-23(22,18-4-2-1-3-5-18)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h1-13,20H,14H2
Definition date:2022-01-07
Last modified:2023-01-13
Release date:2023-01-18
Identifier:~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
IE3
IE3
Name:[3-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methoxy-phenyl]-(3,4,5-trimethoxyphenyl)methanone
Formula:C23 H28 O10 S
SMILES:COc1ccc(cc1S[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(=O)c3cc(OC)c(OC)c(OC)c3
InChi:InChI=1S/C23H28O10S/c1-29-13-6-5-11(18(25)12-7-14(30-2)22(32-4)15(8-12)31-3)9-17(13)34-23-21(28)20(27)19(26)16(10-24)33-23/h5-9,16,19-21,23-24,26-28H,10H2,1-4H3/t16-,19+,20+,21-,23+/m1/s1
Definition date:2022-03-11
Last modified:2023-01-13
Release date:2023-01-18
Identifier:[3-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methoxy-phenyl]-(3,4,5-trimethoxyphenyl)methanone
IEC
IEC
Name:(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol
Formula:C21 H24 O6 S
SMILES:COc1ccc(cc1)C(=C)c2ccc(S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2
InChi:InChI=1S/C21H24O6S/c1-12(13-3-7-15(26-2)8-4-13)14-5-9-16(10-6-14)28-21-20(25)19(24)18(23)17(11-22)27-21/h3-10,17-25H,1,11H2,2H3/t17-,18+,19+,20-,21+/m1/s1
Synonyms:Biaryl-thiogalactoside
Definition date:2022-03-11
Last modified:2023-01-13
Release date:2023-01-18
Identifier:(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[4-[1-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-oxane-3,4,5-triol
D0I
D0I
Name:[(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol
Formula:C18 H21 N O
SMILES:OC[C]1(CCN(Cc2ccccc2)C1)c3ccccc3
InChi:InChI=1S/C18H21NO/c20-15-18(17-9-5-2-6-10-17)11-12-19(14-18)13-16-7-3-1-4-8-16/h1-10,20H,11-15H2/t18-/m1/s1
Definition date:2022-04-06
Last modified:2023-01-13
Release date:2023-01-18
Identifier:[(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol
JHO
JHO
Name:(2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol
Formula:C18 H20 N6 O
SMILES:CCc1nnc2ccc(N[CH](CO)Cc3c[nH]c4ccccc34)nn12
InChi:InChI=1S/C18H20N6O/c1-2-17-21-22-18-8-7-16(23-24(17)18)20-13(11-25)9-12-10-19-15-6-4-3-5-14(12)15/h3-8,10,13,19,25H,2,9,11H2,1H3,(H,20,23)/t13-/m0/s1
Definition date:2022-08-11
Last modified:2023-01-13
Release date:2023-01-18
Identifier:(2~{S})-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1~{H}-indol-3-yl)propan-1-ol
JLX
JLX
Name:N-[2-(1H-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula:C16 H13 F3 N6
SMILES:FC(F)(F)c1nnc2ccc(NCCc3c[nH]c4ccccc34)nn12
InChi:InChI=1S/C16H13F3N6/c17-16(18,19)15-23-22-14-6-5-13(24-25(14)15)20-8-7-10-9-21-12-4-2-1-3-11(10)12/h1-6,9,21H,7-8H2,(H,20,24)
Definition date:2022-08-22
Last modified:2023-01-13
Release date:2023-01-18
Identifier:~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
JVI
JVI
Name:4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
Formula:C18 H21 N5 O2
SMILES:CCNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC
InChi:InChI=1S/C18H21N5O2/c1-3-19-18-21-13-6-4-5-12(13)17(22-18)23-10-16(24)20-14-9-11(25-2)7-8-15(14)23/h7-9H,3-6,10H2,1-2H3,(H,20,24)(H,19,21,22)
Definition date:2022-02-02
Last modified:2023-01-13
Release date:2023-01-18
Identifier:4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
LAO
LAO
Name:2-O-phosphono-alpha-L-arabinopyranose
Formula:C5 H11 O8 P
SMILES:O=P(OC1C(O)C(O)COC1O)(O)O
InChi:InChI=1S/C5H11O8P/c6-2-1-12-5(8)4(3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1
Synonyms:2-O-phosphono-alpha-L-arabinose
Definition date:2014-02-27
Last modified:2023-01-10
Release date:2015-08-19
Identifier:2-O-phosphono-alpha-L-arabinopyranose
KQO
KQO
Name:(2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide
Formula:C25 H28 F N5 O3
SMILES:COc1ccc(cc1)C2(CCCCC2)C(=O)N3C[CH](F)C[CH]3C(=O)Nc4ccc5[nH]ncc5n4
InChi:InChI=1S/C25H28FN5O3/c1-34-18-7-5-16(6-8-18)25(11-3-2-4-12-25)24(33)31-15-17(26)13-21(31)23(32)29-22-10-9-19-20(28-22)14-27-30-19/h5-10,14,17,21H,2-4,11-13,15H2,1H3,(H,27,30)(H,28,29,32)/t17-,21-/m1/s1
Definition date:2022-10-06
Last modified:2023-01-06
Release date:2023-01-11
Identifier:(2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide
XEM
XEM
Name:1-nitrosopropane
Formula:C3 H7 N O
SMILES:CCCN=O
InChi:InChI=1S/C3H7NO/c1-2-3-4-5/h2-3H2,1H3
Definition date:2020-12-14
Last modified:2023-01-06
Release date:2023-01-11
Identifier:1-nitrosopropane
SJI
SJI
Name:N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide
Formula:C24 H36 N4 O2
SMILES:CCNC(=O)c1cc2nc(C)n(C3CCN(CC4(O)CCCCC4)CC3C)c2cc1
InChi:InChI=1S/C24H36N4O2/c1-4-25-23(29)19-8-9-22-20(14-19)26-18(3)28(22)21-10-13-27(15-17(21)2)16-24(30)11-6-5-7-12-24/h8-9,14,17,21,30H,4-7,10-13,15-16H2,1-3H3,(H,25,29)/t17-,21-/m0/s1
Definition date:2022-07-06
Last modified:2023-01-06
Release date:2023-01-11
Identifier:N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide
KG6
KG6
Name:3-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azanylethyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3-oxidanylidene-propanoic acid
Formula:C28 H35 N13 O9
SMILES:NCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CNC(=O)CC(O)=O)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:InChI=1S/C28H35N13O9/c29-3-5-39(8-13-20(46)21(47)27(50-13)40-11-37-17-23(30)33-9-35-25(17)40)4-1-2-14-38-18-24(31)34-10-36-26(18)41(14)28-22(48)19(45)12(49-28)7-32-15(42)6-16(43)44/h9-13,19-22,27-28,45-48H,3-8,29H2,(H,32,42)(H,43,44)(H2,30,33,35)(H2,31,34,36)/t12-,13-,19-,20-,21-,22-,27-,28-/m1/s1
Definition date:2022-05-25
Last modified:2023-01-06
Release date:2023-01-11
Identifier:3-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azanylethyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3-oxidanylidene-propanoic acid

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건을2025-10-22부터공개중

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