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S39
S39
表記:(4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C28 H22 Cl N5 O2 S
SMILES:Clc1ccc2CN(CC(C(=O)Nc3cncc4ccccc43)c2c1)CC(=O)Nc1cc2ncsc2cc1
InChi:InChI=1S/C28H22ClN5O2S/c29-19-6-5-18-13-34(15-27(35)32-20-7-8-26-24(10-20)31-16-37-26)14-23(22(18)9-19)28(36)33-25-12-30-11-17-3-1-2-4-21(17)25/h1-12,16,23H,13-15H2,(H,32,35)(H,33,36)/t23-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
S4X
S4X
表記:(4S)-6-chloro-2-(2-{[(1r,3R,5R,7S)-3-hydroxyadamantan-1-yl]amino}-2-oxoethyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C31 H33 Cl N4 O3
SMILES:OC12CC3CC(CC(C3)(C2)NC(=O)CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccccc32)C1
InChi:InChI=1S/C31H33ClN4O3/c32-23-6-5-22-15-36(17-28(37)35-30-9-19-7-20(10-30)12-31(39,11-19)18-30)16-26(25(22)8-23)29(38)34-27-14-33-13-21-3-1-2-4-24(21)27/h1-6,8,13-14,19-20,26,39H,7,9-12,15-18H2,(H,34,38)(H,35,37)/t19-,20+,26-,30+,31-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-2-(2-{[(1r,3R,5R,7S)-3-hydroxyadamantan-1-yl]amino}-2-oxoethyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
S5L
S5L
表記:(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C29 H26 Cl N5 O3
SMILES:CC(=O)Nc1ccc(cc1)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C29H26ClN5O3/c1-18(36)32-22-8-10-23(11-9-22)33-28(37)17-35-15-20-6-7-21(30)12-25(20)26(16-35)29(38)34-27-14-31-13-19-4-2-3-5-24(19)27/h2-14,26H,15-17H2,1H3,(H,32,36)(H,33,37)(H,34,38)/t26-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
ABU
ABU
表記:GAMMA-AMINO-BUTANOIC ACID
組成式:C4 H9 N O2
SMILES:O=C(O)CCCN
InChi:InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
別名:GAMMA(AMINO)-BUTYRIC ACID
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:4-aminobutanoic acid
AC5
AC5
表記:1-AMINOCYCLOPENTANECARBOXYLIC ACID
組成式:C6 H11 N O2
SMILES:O=C(O)C1(N)CCCC1
InChi:InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
別名:CYCLO-LEUCINE
定義日:2004-11-22
最終更新日:2023-11-03
識別子（ID）:1-aminocyclopentanecarboxylic acid
ACA
ACA
表記:6-AMINOHEXANOIC ACID
組成式:C6 H13 N O2
SMILES:O=C(O)CCCCCN
InChi:InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
別名:AMINOCAPROIC ACID
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:6-aminohexanoic acid
ESB
ESB
表記:3-[(3E)-3-(ETHYLIMINO)-4-HYDROXY-6-OXOCYCLOHEXA-1,4-DIEN-1-YL]-L-ALANINE
組成式:C11 H14 N2 O4
SMILES:O=C1C=C(O)/C(=N/CC)C=C1CC(C(=O)O)N
InChi:InChI=1S/C11H14N2O4/c1-2-13-8-4-6(3-7(12)11(16)17)9(14)5-10(8)15/h4-5,7,15H,2-3,12H2,1H3,(H,16,17)/b13-8+/t7-/m0/s1
定義日:2008-04-03
最終更新日:2023-11-03
識別子（ID）:3-[(3E)-3-(ethylimino)-4-hydroxy-6-oxocyclohexa-1,4-dien-1-yl]-L-alanine
ESD
ESD
表記:(2-AMINO-ETHYLSULFANYL)-ACETIC ACID
組成式:C4 H9 N O2 S
SMILES:O=C(O)CSCCN
InChi:InChI=1S/C4H9NO2S/c5-1-2-8-3-4(6)7/h1-3,5H2,(H,6,7)
定義日:2001-10-18
最終更新日:2023-11-03
識別子（ID）:[(2-aminoethyl)sulfanyl]acetic acid
EU0
EU0
表記:1-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]guanidine
組成式:C6 H14 N3 O2
SMILES:CC(C)[CH](NC(N)=[NH2+])C(O)=O
InChi:InChI=1S/C6H13N3O2/c1-3(2)4(5(10)11)9-6(7)8/h3-4H,1-2H3,(H,10,11)(H4,7,8,9)/p+1/t4-/m0/s1
定義日:2022-01-13
最終更新日:2023-11-03
公開日:2023-05-10
識別子（ID）:[azanyl-[[(2~{S})-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]methylidene]azanium
AG2
AG2
表記:AGMATINE
組成式:C5 H14 N4
SMILES:[N@H]=C(N)NCCCCN
InChi:InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
別名:(4-AMINOBUTYL)GUANIDINE
定義日:2002-10-04
最終更新日:2023-11-03
識別子（ID）:1-(4-aminobutyl)guanidine
EW6
EW6
表記:alpha-methyl-L-serine
組成式:C4 H9 N O3
SMILES:C[C](N)(CO)C(O)=O
InChi:InChI=1S/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)/t4-/m0/s1
別名:(2S)-2-azanyl-2-methyl-3-oxidanyl-propanoic acid
定義日:2020-02-10
最終更新日:2023-11-03
公開日:2021-03-10
識別子（ID）:(2~{S})-2-azanyl-2-methyl-3-oxidanyl-propanoic acid
AHB
AHB
表記:BETA-HYDROXYASPARAGINE
組成式:C4 H8 N2 O4
SMILES:O=C(O)C(N)C(O)C(=O)N
InChi:InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(3S)-3-hydroxy-L-asparagine
EXB
EXB
表記:3-(1H-benzimidazol-1-yl)propanoic acid
組成式:C10 H10 N2 O2
SMILES:O=C(O)CCn1c2ccccc2nc1
InChi:InChI=1S/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14)
定義日:2008-11-12
最終更新日:2023-11-03
識別子（ID）:3-(1H-benzimidazol-1-yl)propanoic acid
EXL
EXL
表記:1-Methyl-L-tryptophan
組成式:C12 H14 N2 O2
SMILES:Cn1cc(C[CH](N)C(O)=O)c2ccccc12
InChi:InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
別名:(2S)-2-azanyl-3-(1-methylindol-3-yl)propanoic acid
定義日:2020-02-14
最終更新日:2023-11-03
公開日:2020-07-08
識別子（ID）:(2~{S})-2-azanyl-3-(1-methylindol-3-yl)propanoic acid
EYZ
EYZ
表記:(2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid
組成式:C16 H22 N2 O5 S
SMILES:N[CH](CCCCNC(=O)C[CH](Sc1ccccc1)C(O)=O)C(O)=O
InChi:InChI=1S/C16H22N2O5S/c17-12(15(20)21)8-4-5-9-18-14(19)10-13(16(22)23)24-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,17H2,(H,18,19)(H,20,21)(H,22,23)/t12-,13+/m0/s1
定義日:2018-05-08
最終更新日:2023-11-03
公開日:2018-05-16
識別子（ID）:(2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid
EZY
EZY
表記:N-[(2-nitrophenyl)methyl]glycine
組成式:C9 H10 N2 O4
SMILES:N(CC(=O)O)Cc1c(N(=O)=O)cccc1
InChi:InChI=1S/C9H10N2O4/c12-9(13)6-10-5-7-3-1-2-4-8(7)11(14)15/h1-4,10H,5-6H2,(H,12,13)
別名:2-nitrobenzylglycine
定義日:2018-02-20
最終更新日:2023-11-03
公開日:2018-05-16
識別子（ID）:N-[(2-nitrophenyl)methyl]glycine
ALN
ALN
表記:NAPHTHALEN-2-YL-3-ALANINE
組成式:C13 H13 N O2
SMILES:O=C(O)C(N)Cc2cccc1ccccc12
InChi:InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(2S)-2-amino-3-naphthalen-1-ylpropanoic acid (non-preferred name)
ALS
ALS
表記:(3S)-3-(sulfooxy)-L-serine
組成式:C3 H7 N O7 S
SMILES:C(C(C(OS(O)(=O)=O)O)N)(O)=O
InChi:InChI=1S/C3H7NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H,8,9,10)/t1-,3+/m1/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:(3S)-3-(sulfooxy)-L-serine
F2F
F2F
表記:3,4-difluoro-L-phenylalanine
組成式:C9 H9 F2 N O2
SMILES:Fc1ccc(cc1F)CC(C(=O)O)N
InChi:InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1
定義日:2008-05-20
最終更新日:2023-11-03
識別子（ID）:3,4-difluoro-L-phenylalanine
F2Y
F2Y
表記:3,5-difluoro-L-tyrosine
組成式:C9 H9 F2 N O3
SMILES:Fc1cc(cc(F)c1O)CC(C(=O)O)N
InChi:InChI=1S/C9H9F2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
定義日:2012-10-25
最終更新日:2023-11-03
公開日:2013-03-13
識別子（ID）:3,5-difluoro-L-tyrosine
APN
APN
表記:2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-ADENINE
組成式:C11 H16 N7 O3
SMILES:O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC[NH3+]
InChi:InChI=1S/C11H15N7O3/c12-1-2-17(4-8(20)21)7(19)3-18-6-16-9-10(13)14-5-15-11(9)18/h5-6H,1-4,12H2,(H,20,21)(H2,13,14,15)/p+1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:2-{[(6-amino-9H-purin-9-yl)acetyl](carboxymethyl)amino}ethanaminium
APY
APY
表記:2-AMINOMETHYL-PYRIDINE
組成式:C6 H8 N2
SMILES:n1ccccc1CN
InChi:InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:1-pyridin-2-ylmethanamine
T17
T17
表記:{[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
組成式: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
定義日:2014-05-10
最終更新日:2023-11-03
公開日:2014-10-01
識別子（ID）:{[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)
T1F
T1F
表記:(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
組成式: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
定義日:2023-04-19
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(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
AR0
AR0
表記:4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol
組成式:C14 H25 N5 O3
SMILES:O=C(O)Cc1cc[n+](cc1)CC(O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C14H23N5O3/c15-11(2-1-5-18-14(16)17)12(20)9-19-6-3-10(4-7-19)8-13(21)22/h3-4,6-7,11-12,20H,1-2,5,8-9,15H2,(H4-,16,17,18,21,22)/p+2/t11-,12+/m0/s1
定義日:2010-09-17
最終更新日:2023-11-03
識別子（ID）:4-amino-1-{[amino(iminio)methyl]amino}-6-[4-(carboxymethyl)pyridinium-1-yl]-1,2,3,4,6-pentadeoxy-D-erythro-hexitol

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