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HID
HID
表記:(5-hydroxy-1H-indol-3-yl)acetic acid
組成式:C10 H9 N O3
SMILES:OC(=O)Cc1c[nH]c2ccc(O)cc12
InChi:InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
別名:5-hydroxy-indole acetate
定義日:2010-02-08
最終更新日:2021-03-01
識別子（ID）:2-(5-hydroxy-1H-indol-3-yl)ethanoic acid
C4H
C4H
表記:N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE
組成式:C19 H27 N3 O3 S2
SMILES:O=C(NCCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)CCS
InChi:InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23)
別名:N-[2-(5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO)BUTHYL]-3-MERCAPTOPROPIONAMIDE
定義日:2005-03-18
最終更新日:2021-03-01
識別子（ID）:N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]-3-sulfanylpropanamide
HJ1
HJ1
表記:N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
組成式:C11 H16 N2 O3
SMILES:C(N)CC(NCCc1cc(c(cc1)O)O)=O
InChi:InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16)
別名:beta-alanyl-dopamine
定義日:2018-07-03
最終更新日:2021-03-01
公開日:2019-01-30
識別子（ID）:N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
C4M
C4M
表記:N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
組成式:C20 H28 N2 O4 S
SMILES:O=S(=O)(c1c(cc(OC)c(c1C)C)C)NCC(O)C(N)Cc2ccccc2
InChi:InChI=1S/C20H28N2O4S/c1-13-10-19(26-4)14(2)15(3)20(13)27(24,25)22-12-18(23)17(21)11-16-8-6-5-7-9-16/h5-10,17-18,22-23H,11-12,21H2,1-4H3/t17-,18+/m0/s1
別名:INHIBITOR OF THROMBIN
定義日:2005-12-09
最終更新日:2021-03-01
識別子（ID）:N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
C5R
C5R
表記:(2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid
組成式:C31 H38 N2 O3
SMILES:CC(C)c1ccc2c(CC[CH]3[C](C)(CCC[C]23C)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(O)=O)c1
InChi:InChI=1S/C31H38N2O3/c1-19(2)20-10-12-24-21(16-20)11-13-27-30(24,3)14-7-15-31(27,4)29(36)33-26(28(34)35)17-22-18-32-25-9-6-5-8-23(22)25/h5-6,8-10,12,16,18-19,26-27,32H,7,11,13-15,17H2,1-4H3,(H,33,36)(H,34,35)/t26-,27+,30+,31+/m0/s1
別名:N-Dehydroabietoyl-L-Tryptophan
定義日:2019-04-10
最終更新日:2021-03-01
公開日:2020-03-18
識別子（ID）:(2~{S})-2-[[(1~{R},4~{a}~{S},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,9,10,10~{a}-hexahydrophenanthren-1-yl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid
C6F
C6F
表記:6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
組成式:C29 H44 N8 O3
SMILES:CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5
InChi:InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
別名:gilteritinib
定義日:2019-04-10
最終更新日:2021-03-01
公開日:2019-11-20
識別子（ID）:6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
HL0
HL0
表記:N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
組成式:C14 H25 N O3
SMILES:O=C1OCCC1NC(=O)CCCCCCCCC
InChi:InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
別名:N-decanoyl-L-homoserine lactone
定義日:2011-02-15
最終更新日:2021-03-01
識別子（ID）:N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
C6P
C6P
表記:N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE
組成式:C11 H17 N2 O7 P S
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CS
InChi:InChI=1S/C11H17N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2,9,13-14,22H,3-5H2,1H3,(H,15,16)(H2,17,18,19)/t9-/m0/s1
別名:4-((1-CARBOXY-2-THIOL-ETHYLAMINO)-METHYL)-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM
定義日:2006-09-22
最終更新日:2021-03-01
識別子（ID）:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-cysteine
C7G
C7G
表記:[(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
組成式:C25 H36 N10 O23 P4
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)[CH](O)[CH]4O)[CH](O)[CH]3O
InChi:InChI=1S/C25H36N10O23P4/c26-19-11-21(30-4-28-19)34(6-32-11)23-16(39)13(36)8(53-23)1-51-61(46,47)58-62(48,49)52-2-9-14(37)17(40)25(55-9)56-18-15(38)10(3-50-60(44,45)57-59(41,42)43)54-24(18)35-7-33-12-20(27)29-5-31-22(12)35/h4-10,13-18,23-25,36-40H,1-3H2,(H,44,45)(H,46,47)(H,48,49)(H2,26,28,30)(H2,27,29,31)(H2,41,42,43)/t8-,9+,10-,13+,14-,15+,16+,17+,18+,23+,24+,25+/m1/s1
別名:DIADPR
定義日:2017-09-15
最終更新日:2021-03-01
公開日:2019-01-09
識別子（ID）:[(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
C7H
C7H
表記:4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine
組成式:C21 H21 N
SMILES:CN1CCC(CC1)=C2c3ccccc3C=Cc4ccccc24
InChi:InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
別名:Cyproheptadine
定義日:2015-08-25
最終更新日:2021-03-01
公開日:2016-04-27
識別子（ID）:4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine
HLW
HLW
表記:3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
組成式:C18 H20 Cl N5
SMILES:Clc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3
InChi:InChI=1S/C18H20ClN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2
別名:N-2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL-3-(3-CHLOROPHENYL)PROPAN-1-AMINE
定義日:2014-10-21
最終更新日:2021-03-01
公開日:2014-12-24
識別子（ID）:3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine
HM6
HM6
表記:4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
組成式:C10 H8 N4 O5
SMILES:O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O
InChi:InChI=1S/C10H8N4O5/c15-4-5-3-14(13-12-5)6-1-7(9(16)17)11-8(2-6)10(18)19/h1-3,15H,4H2,(H,16,17)(H,18,19)
別名:HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID
定義日:2012-09-13
最終更新日:2021-03-01
公開日:2012-11-09
識別子（ID）:4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyridine-2,6-dicarboxylic acid
C7R
C7R
表記:2'-deoxy-5'-O-thiophosphonocytidine
組成式:C9 H14 N3 O6 P S
SMILES:P(S)(O)(OCC1OC(CC1O)N2C=CC(=NC2=O)N)=O
InChi:InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
別名:2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 1)
定義日:2016-04-28
最終更新日:2021-03-01
公開日:2016-06-22
識別子（ID）:2'-deoxy-5'-O-thiophosphonocytidine
C7S
C7S
表記:2'-deoxy-5'-O-thiophosphonocytidine
組成式:C9 H14 N3 O6 P S
SMILES:P(=O)(O)(OCC1C(CC(O1)N2C=CC(=NC2=O)N)O)S
InChi:InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
別名:2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 2)
定義日:2016-04-28
最終更新日:2021-03-01
公開日:2016-06-22
識別子（ID）:2'-deoxy-5'-O-thiophosphonocytidine
HMD
HMD
表記:4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE
組成式:C11 H10 Br N5 O2
SMILES:O=C1N=C(N=C1C3CCNC(=O)C2=NC(Br)=CC23)N
InChi:InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1
別名:HYMENIALDISINE
定義日:1999-12-16
最終更新日:2021-03-01
識別子（ID）:(3aR,4S)-4-(2-amino-4-oxo-4H-imidazol-5-yl)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(3aH)-one
HMG
HMG
表記:3-HYDROXY-3-METHYLGLUTARYL-COENZYME A
組成式:C27 H39 N7 O20 P3 S
SMILES:[O-]C(=O)CC(O)(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP([O-])([O-])=O
InChi:InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1
別名:(S)-HMG-COA
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name)
C8V
C8V
表記:(2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
組成式:C13 H23 N5 O7 S
SMILES:O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCCC2)=O)(O)=O
InChi:InChI=1S/C13H23N5O7S/c19-8-18-7-10(17-25-26(22,23)24)3-4-11(18)13(21)16-15-12(20)9-2-1-5-14-6-9/h8-11,14,17H,1-7H2,(H,15,20)(H,16,21)(H,22,23,24)/t9-,10-,11+/m1/s1
別名:OPEN FORM - Zidebactam
定義日:2017-09-19
最終更新日:2021-03-01
公開日:2018-08-01
識別子（ID）:(2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
C8Y
C8Y
表記:(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile
組成式:C7 H11 N3 O5 S
SMILES:O=S(O)(=O)ONC1CCC(C#N)N(C=O)C1
InChi:InChI=1S/C7H11N3O5S/c8-3-7-2-1-6(4-10(7)5-11)9-15-16(12,13)14/h5-7,9H,1-2,4H2,(H,12,13,14)/t6-,7+/m1/s1
別名:open form - WCK 4234
定義日:2017-09-19
最終更新日:2021-03-01
公開日:2018-08-01
識別子（ID）:(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile
C93
C93
表記:3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
組成式:C13 H15 N O5
SMILES:O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O
InChi:InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19)
別名:3-(4-hydroxypiperidine-1-yl) phthalic acid
定義日:2014-08-19
最終更新日:2021-03-01
公開日:2014-10-15
識別子（ID）:3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
C9C
C9C
表記:4-(2-hydroxyethyloxycarbonyl)benzoic acid
組成式:C10 H10 O5
SMILES:OCCOC(=O)c1ccc(cc1)C(O)=O
InChi:InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
別名:monohydroxyethyl terephthalate
定義日:2019-04-16
最終更新日:2021-03-01
公開日:2020-04-15
識別子（ID）:4-(2-hydroxyethyloxycarbonyl)benzoic acid
C9D
C9D
表記:(2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
組成式:C12 H21 N5 O7 S
SMILES:O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCC2)=O)(O)=O
InChi:InChI=1S/C12H21N5O7S/c18-7-17-6-9(16-24-25(21,22)23)1-2-10(17)12(20)15-14-11(19)8-3-4-13-5-8/h7-10,13,16H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/t8-,9-,10+/m1/s1
別名:open form - WCK 5153
定義日:2017-09-20
最終更新日:2021-03-01
公開日:2018-08-01
識別子（ID）:(2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
C9P
C9P
表記:4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
組成式:C17 H14 B N O8 S3
SMILES:O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cc(B(O)O)ccc2C(=O)O)c3ccccc3
InChi:InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21)
別名:3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-4-CARBOXY-PHENYLBORONIC ACID
定義日:2007-12-20
最終更新日:2021-03-01
識別子（ID）:4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid
U04
U04
表記:({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
組成式:C25 H28 N2 O6
SMILES:O=C(OC(C)(C)C)NCC(=O)Nc1cccc(c1)C(C2=C(O)c3c(OC2=O)cccc3)CC
InChi:InChI=1S/C25H28N2O6/c1-5-17(21-22(29)18-11-6-7-12-19(18)32-23(21)30)15-9-8-10-16(13-15)27-20(28)14-26-24(31)33-25(2,3)4/h6-13,17,29H,5,14H2,1-4H3,(H,26,31)(H,27,28)/t17-/m0/s1
別名:U097410
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:tert-butyl [2-({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}amino)-2-oxoethyl]carbamate
U05
U05
表記:6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE
組成式:C15 H14 N4 O3
SMILES:[O-][N+](=O)c2ccc3N(C(=O)c1cccnc1N(c3c2)CC)C
InChi:InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3
別名:1051U91
定義日:1999-07-08
最終更新日:2021-03-01
識別子（ID）:11-ethyl-6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
U16
U16
表記:METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE
組成式:C22 H35 N3 O5
SMILES:O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C(C)C)C)CC(C)C
InChi:InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17+,18+,19-/m0/s1
別名:2-{2-[3-AMINO-2-HYDROXY-3-(4-ISOPROPYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-4-METHYL-PENTANOIC ACID METHYL ESTER
定義日:2006-04-03
最終更新日:2021-03-01
識別子（ID）:methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(1-methylethyl)phenyl]propanoyl}-L-alanyl-D-leucinate

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