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NHQ
NHQ
表記:(3R)-27-AMINO-3-HYDROXY-2,2-DIMETHYL-4,8,14-TRIOXO-12-THIA-5,9,15,19,24-PENTAAZAHEPTACOS-1-YL [(2S,3R,4S,5S)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
組成式:C33 H62 N11 O17 P3 S
SMILES:O=C(NCCCNCCCCNCCCN)CSCCNC(=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/C33H62N11O17P3S/c1-33(2,28(48)31(49)40-14-7-23(45)39-15-16-65-18-24(46)38-13-6-12-37-10-4-3-9-36-11-5-8-34)19-58-64(55,56)61-63(53,54)57-17-22-27(60-62(50,51)52)26(47)32(59-22)44-21-43-25-29(35)41-20-42-30(25)44/h20-22,26-28,32,36-37,47-48H,3-19,34H2,1-2H3,(H,38,46)(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,35,41,42)(H2,50,51,52)/t22-,26-,27-,28+,32-/m1/s1
別名:N1-ACETYLSPERMINE-S-COA
定義日:2007-01-23
最終更新日:2020-06-17
識別子（ID）:(3R)-27-amino-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15,19,24-pentaazaheptacos-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
3DH
3DH
表記:5'-S-ethyl-5'-thioadenosine
組成式:C12 H17 N5 O3 S
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCC)N
InChi:InChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
別名:S-adenosylethane
定義日:2008-06-20
最終更新日:2020-06-17
識別子（ID）:5'-S-ethyl-5'-thioadenosine
OPY
OPY
表記:(3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
組成式:C9 H19 N3 O
SMILES:O=C(N1CCCCC1)C(N)CCN
InChi:InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m0/s1
別名:GSK237826A
定義日:2010-05-17
最終更新日:2020-06-17
識別子（ID）:(2S)-2,4-diamino-1-(piperidin-1-yl)butan-1-one
P42
P42
表記:(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
組成式:C42 H88 N O8 P
SMILES:[O-]P(=O)(OCC[N+](C)(C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCCCC
InChi:InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/t40-,41+,42+/m0/s1
別名:1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine
定義日:2008-11-25
最終更新日:2020-06-17
識別子（ID）:(2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate
88A
88A
表記:8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
組成式:C23 H23 N5 O3 S
SMILES:O=S(=O)(c1ccc(cc1)c2cccn3nc(nc23)Nc5ccc(N4CCOCC4)cc5)C
InChi:InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26)
別名:[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
定義日:2012-04-16
最終更新日:2020-06-17
識別子（ID）:8-[4-(methylsulfonyl)phenyl]-N-[4-(morpholin-4-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine
PE1
PE1
表記:N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-LYSINE
組成式:C14 H24 N3 O7 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCCN
InChi:InChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m0/s1
別名:PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE
定義日:2004-11-12
最終更新日:2020-06-17
識別子（ID）:N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-lysine
8DR
8DR
表記:(S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid
組成式:C17 H19 N7 O5 S3
SMILES:O=C(O)C(NC(=O)c1sccc1NS(=O)(=O)c2cccc3nsnc23)CCCNC(=[N@H])N
InChi:InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
別名:(2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid
定義日:2009-07-14
最終更新日:2020-06-17
識別子（ID）:N~2~-({3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]thiophen-2-yl}carbonyl)-L-arginine
PM0
PM0
表記:premithramycin B
組成式:C53 H72 O24
SMILES:O=C8c4c(cc3cc(OC2OC(C)C(O)C(OC1OC(C)C(O)C(O)C1)C2)c(c(O)c3c4O)C)CC9C8(OC7OC(C(O)C(OC6OC(C)C(O)C(OC5OC(C)C(O)C(O)(C)C5)C6)C7)C)C(=O)C(C(=O)C)=C(O)C9OC
InChi:InChI=1S/C53H72O24/c1-18-29(73-34-14-30(43(58)21(4)69-34)74-33-13-28(55)42(57)20(3)68-33)12-26-10-25-11-27-48(67-9)47(62)38(19(2)54)50(64)53(27,51(65)40(25)46(61)39(26)41(18)56)77-36-16-32(45(60)23(6)71-36)75-35-15-31(44(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,42-45,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,42-,43-,44+,45-,48+,49-,52+,53-/m1/s1
別名:(1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy} -2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D- arabino-hexopyranoside
定義日:2010-12-06
最終更新日:2020-06-17
公開日:2013-10-09
識別子（ID）:(1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranoside
PMX
PMX
表記:3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine
組成式:C14 H14 Cl N O6
SMILES:Clc1cc(ccc1O)CC(C(=O)O)NC(=O)C=CC(=O)OC
InChi:InChI=1S/C14H14ClNO6/c1-22-13(19)5-4-12(18)16-10(14(20)21)7-8-2-3-11(17)9(15)6-8/h2-6,10,17H,7H2,1H3,(H,16,18)(H,20,21)/b5-4+/t10-/m0/s1
別名:(+)-Xylariamide A
定義日:2010-11-02
最終更新日:2020-06-17
識別子（ID）:3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine
PUL
PUL
表記:(1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2R,4E,6E,8Z,10R,12E,14E,16Z,18S,19Z)-10,18-DIHYDROXY-12,16,19-TRIMETHYL-11,22-DIOXOOX ACYCLODOCOSA-4,6,8,12,14,16,19-HEPTAEN-2-YL]-2,11-DIHYDROXY-1,10-DIMETHYL-9-OXOTRIDECA-3,5,7-TRIEN-1-YL 6-DEOXY-2,4-DI-O-METHYL-BETA-L-GALACTOPYRANOSIDE
組成式:C47 H66 O13
SMILES:O=C1C(=CC=CC(=CC(O)C(=CCC(=O)OC(CC=CC=CC=CC1O)C(C)C(O)C(C(=O)C=CC=CC=CC(O)C(OC2OC(C(OC)C(O)C2OC)C)C)C)C)C)C
InChi:InChI=1S/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26+,31-21+/t32-,33-,34+,35-,37+,38+,39-,40+,43-,44+,45+,46-,47-/m1/s1
別名:PULVOMYCIN
定義日:2005-11-18
最終更新日:2020-06-17
識別子（ID）:(1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2S,4E,6E,8E,10S,12E,14E,16E,18R,19E)-10,18-dihydroxy-12,16,19-trimethyl-11,22-dioxooxacyclodocosa-4,6,8,12,14,16,19-heptaen-2-yl]-2,11-dihydroxy-1,10-dimethyl-9-oxotrideca-3,5,7-trien-1-yl 6-deoxy-2,4-di-O-methyl-beta-D-galactopyranoside
BPF
BPF
表記:N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium
組成式:C22 H26 N4 O
SMILES:o1c(ccc1c2ccc(/C(=[NH+]/CC)N)cc2)c3ccc(C(=[NH+]/CC)/N)cc3
InChi:InChI=1S/C22H24N4O/c1-3-25-21(23)17-9-5-15(6-10-17)19-13-14-20(27-19)16-7-11-18(12-8-16)22(24)26-4-2/h5-14H,3-4H2,1-2H3,(H2,23,25)(H2,24,26)/p+2
別名:DB185
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium
CGB
CGB
表記:CALYSTEGINE B2
組成式:C7 H13 N O4
SMILES:OC12NC(CC1)C(O)C(O)C2O
InChi:InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1
別名:(1S,2R,3S,4R,5S)-8-AZABICYCLO[3.2.1]OCTANE-1,2,3,4-TETROL
定義日:2006-01-09
最終更新日:2020-06-17
識別子（ID）:(1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
CGS
CGS
表記:N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
組成式:C18 H23 N3 O5 S
SMILES:O=C(NO)C(N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C(C)C
InChi:InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
別名:CGS-27023A
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-3-ylmethyl)-D-valinamide
CGT
CGT
表記:CARBA-GLUCOTROPAEOLIN
組成式:C15 H21 N O8 S2
SMILES:O=S(=O)(O)ON=C(/SC1CC(C(O)C(O)C1O)CO)Cc2ccccc2
InChi:InChI=1S/C15H21NO8S2/c17-8-10-7-11(14(19)15(20)13(10)18)25-12(16-24-26(21,22)23)6-9-4-2-1-3-5-9/h1-5,10-11,13-15,17-20H,6-8H2,(H,21,22,23)/b16-12-/t10-,11-,13-,14+,15+/m1/s1
別名:(1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE
定義日:2004-10-08
最終更新日:2020-06-17
識別子（ID）:(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate
AGK
AGK
表記:(3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol
組成式:C5 H12 N2 O3
SMILES:OC[CH]1NNC[CH](O)[CH]1O
InChi:InChI=1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5+/m1/s1
別名:AZA-GALACTO-FAGOMINE
定義日:2015-03-17
最終更新日:2020-06-17
公開日:2015-03-25
識別子（ID）:(3R,4S,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol
ALW
ALW
表記:METHYL 5-(PROPYLSULFINYL)-1H-BENZIMIDAZOL-2-YLCARBAMATE
組成式:C12 H15 N3 O3 S
SMILES:O=S(c2ccc1c(nc(n1)NC(=O)OC)c2)CCC
InChi:InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/t19-/m0/s1
別名:ALBENDAZOLE SULPHOXIDE
定義日:2003-06-27
最終更新日:2020-06-17
識別子（ID）:methyl {5-[(S)-propylsulfinyl]-1H-benzimidazol-2-yl}carbamate
CMK
CMK
表記:CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID
組成式:C17 H26 N3 O15 P
SMILES:O=C(O)C1(OC(C(O)CO)C(O)C(O)C1)OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O
InChi:InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1
別名:CMP-2-KETO-3-DEOXY-OCTULOSONIC ACID
定義日:2001-11-21
最終更新日:2020-06-17
識別子（ID）:(2R,4R,5R,6R)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
CPV
CPV
表記:5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID
組成式:C15 H29 N O3
SMILES:O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1
InChi:InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1
別名:(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanoic acid
D18
D18
表記:2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN
組成式:C24 H32 N4 O
SMILES:o1c(ccc1c2ccc(cc2)C(N)NC(C)C)c3ccc(cc3)C(N)NC(C)C
InChi:InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24+
別名:FURAMIDINE DERIVATIVE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis[N-(1-methylethyl)methanediamine]
DCI
DCI
表記:2-METHYL-BUTYLAMINE
組成式:C5 H13 N
SMILES:NCC(C)CC
InChi:InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1
別名:LEUCINOL
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(2S)-2-methylbutan-1-amine
4PT
4PT
表記:(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE
組成式:C17 H36 O22 P4
SMILES:O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)OCC(OC(O)CCC)COC(=O)CCC)C(O)C1OP(=O)(O)O)(O)O
InChi:InChI=1S/C17H36O22P4/c1-3-5-10(18)33-7-9(35-11(19)6-4-2)8-34-43(31,32)39-14-12(20)15(36-40(22,23)24)17(38-42(28,29)30)16(13(14)21)37-41(25,26)27/h9,11-17,19-21H,3-8H2,1-2H3,(H,31,32)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t9-,11?,12+,13+,14-,15+,16-,17-/m1/s1
別名:DIC4-PHOSPHATIDYLINOSITOL(3,4,5)TRISPHOSPHATE
定義日:2004-06-21
最終更新日:2020-06-17
識別子（ID）:(2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxybutoxy)propyl butanoate
04J
04J
表記:Aminopterin
組成式:C19 H20 N8 O5
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3N)N)CCC(=O)O
InChi:InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
別名:N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid
定義日:2011-11-23
最終更新日:2020-06-17
公開日:2013-08-07
識別子（ID）:N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid
DZN
DZN
表記:DAIDZIN
組成式:C21 H20 O9
SMILES:O=C3c4ccc(OC1OC(C(O)C(O)C1O)CO)cc4OC=C3c2ccc(O)cc2
InChi:InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
別名:4',7-DIHYDROXYISOFLAVONE
定義日:2003-04-08
最終更新日:2020-06-17
識別子（ID）:3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
E15
E15
表記:(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
組成式:C35 H51 N5 O5 S
SMILES:O=C(NC(C)C(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C
InChi:InChI=1S/C35H51N5O5S/c1-21(2)22(3)37-32(44)29-35(7,8)46-20-40(29)33(45)27(41)25(19-23-15-11-9-12-16-23)38-31(43)28(34(4,5)6)39-30(42)26(36)24-17-13-10-14-18-24/h9-18,21-22,25-29,41H,19-20,36H2,1-8H3,(H,37,44)(H,38,43)(H,39,42)/t22-,25+,26+,27+,28-,29-/m1/s1
別名:KNI-10681
定義日:2010-02-05
最終更新日:2020-06-17
識別子（ID）:N~2~-[(2S)-2-amino-2-phenylacetyl]-N-{(2S,3S)-4-[(4R)-5,5-dimethyl-4-{[(2R)-3-methylbutan-2-yl]carbamoyl}-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-L-valinamide
EBT
EBT
表記:N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine
組成式:C16 H24 N2 O4
SMILES:O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C
InChi:InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14-/m1/s1
別名:Epibestatin
定義日:2010-03-30
最終更新日:2020-06-17
識別子（ID）:N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine

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