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DZZ
DZZ
Name:O,O-DIMETHYL HYDROGEN THIOPHOSPHATE
Formula:C2 H7 O3 P S
SMILES:S=P(O)(OC)OC
InChi:InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7)
Synonyms:DIMETHYL THIOPHOSPHATE
Definition date:2005-09-12
Last modified:2020-06-17
Identifier:O,O-dimethyl hydrogen thiophosphate
E15
E15
Name:(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
Formula: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
Synonyms:KNI-10681
Definition date:2010-02-05
Last modified:2020-06-17
Identifier: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
E1X
E1X
Name:PHOSPHORIC ACID MONO-[5-(1-ETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]ESTER
Formula:C12 H17 N4 O8 P
SMILES:O=C3Nc1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)C(=O)N3CC
InChi:InChI=1S/C12H17N4O8P/c1-2-15-11(18)9-10(14-12(15)19)16(5-13-9)8-3-6(17)7(24-8)4-23-25(20,21)22/h5-8,17H,2-4H2,1H3,(H,14,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
Synonyms:N1-ETHYL-2'-DEOXYXANTHOSINE 5'-MONOPHOSPHATE
Definition date:2004-05-06
Last modified:2020-06-17
Identifier:2'-deoxy-1-ethylxanthosine 5'-(dihydrogen phosphate)
E2J
E2J
Name:6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Formula:C27 H25 F2 N3 O S
SMILES:C5=4N(C(C(CCN1CCC(CC1)=C(/c2ccc(cc2)F)c3ccc(F)cc3)=C(N=4)C)=O)C=CS5
InChi:InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
Synonyms:Ritanserin
Definition date:2017-11-28
Last modified:2020-06-17
Release date:2018-02-14
Identifier:6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
E2Z
E2Z
Name:2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine
Formula:C17 H18 F N5
SMILES:Fc1cccc(c1)CCNCCc2nc(ncc2)n3ccnc3
InChi:InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2
Synonyms:2-(2-(1H-Imidazol-1-yl)pyrimidin-4-yl)-n-(3-fluorophenethyl)ethan-1-amine
Definition date:2014-10-21
Last modified:2020-06-17
Release date:2014-12-24
Identifier:2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine
E7Y
E7Y
Name:(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
Formula:C22 H37 N O2
SMILES:C(=O)(NCCO)CCC[C@H]=CCC=C/C[C@H]=CC[C@H]=CCCCCC
InChi:InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
Synonyms:N-arachidonoylethanolamine
Definition date:2017-12-07
Last modified:2020-06-17
Release date:2018-12-12
Identifier:(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
EB1
EB1
Name:SEOCALCITOL
Formula:C30 H46 O3
SMILES:OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(C=CC=CC(O)(CC)CC)C)CCC12)CC(O)C3
InChi:InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1
Synonyms:5-{2-[1-(6-ETHYL-6-HYDROXY-1-METHYL-OCTA-2,4-DIENYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLO HEXANE-1,3-DIOL
Definition date:2004-01-14
Last modified:2020-06-17
Identifier:(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2E,4E)-6-ethyl-6-hydroxy-1-methylocta-2,4-dien-1-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)
ECE
ECE
Name:Caprolactone
Formula:C6 H10 O2
SMILES:O=C1OCCCCC1
InChi:InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
Synonyms:Oxepan-2-one
Definition date:2014-10-06
Last modified:2020-06-17
Release date:2014-10-15
Identifier:oxepan-2-one
ECN
ECN
Name:1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE
Formula:C18 H15 Cl3 N2 O
SMILES:Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn3ccnc3
InChi:InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/t18-/m1/s1
Synonyms:S-Econazole
Definition date:2007-03-12
Last modified:2020-06-17
Identifier:1-[(2S)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
EDC
EDC
Name:N3,N4-ETHENO-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
Formula:C11 H14 N3 O7 P
SMILES:O=P(O)(O)OCC3OC(N2C(=O)n1c(ncc1)C=C2)CC3O
InChi:InChI=1S/C11H14N3O7P/c15-7-5-10(21-8(7)6-20-22(17,18)19)14-3-1-9-12-2-4-13(9)11(14)16/h1-4,7-8,10,15H,5-6H2,(H2,17,18,19)/t7-,8+,10+/m0/s1
Synonyms:6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one
2EL
2EL
Name:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol
Formula:C16 H25 N5 O3 S
SMILES:OCCOCCSCC3CN(Cc2cnc1c2ncnc1N)CC3O
InChi:InChI=1S/C16H25N5O3S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-25-4-3-24-2-1-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1
Synonyms:DIETGLYCOL-THIO-DADME-IMMUCILLIN-A
Definition date:2012-05-09
Last modified:2020-06-17
Release date:2013-05-01
Identifier:(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-ol
2FA
2FA
Name:2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Formula:C10 H12 F N5 O4
SMILES:Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N
InChi:InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
Synonyms:2-FLUOROADENOSINE
Definition date:2003-08-06
Last modified:2020-06-17
Identifier:2-fluoroadenosine
2FD
2FD
Name:5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL
Formula:C10 H12 F N5 O3
SMILES:Fc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N
InChi:InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
Synonyms:2-FLUORO-2'-DEOXYADENOSINE
Definition date:2003-08-06
Last modified:2020-06-17
Identifier:2'-deoxy-2-fluoroadenosine
2FE
2FE
Name:2'-fluoro-2'-deoxy-1,N6-ethenoadenine
Formula:C12 H13 F N5 O6 P
SMILES:O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)C(F)C4O
InChi:InChI=1S/C12H13FN5O6P/c13-7-9(19)6(3-23-25(20,21)22)24-12(7)18-5-15-8-10-14-1-2-17(10)4-16-11(8)18/h1-2,4-7,9,12,19H,3H2,(H2,20,21,22)/t6-,7+,9-,12-/m1/s1
Synonyms:3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine
Definition date:2008-04-28
Last modified:2020-06-17
Identifier:3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine
2FI
2FI
Name:2'-fluoro-2'-deoxyinosine
Formula:C10 H12 F N4 O7 P
SMILES:O=C1c2ncn(c2N=CN1)C3OC(C(O)C3F)COP(=O)(O)O
InChi:InChI=1S/C10H12FN4O7P/c11-5-7(16)4(1-21-23(18,19)20)22-10(5)15-3-14-6-8(15)12-2-13-9(6)17/h2-5,7,10,16H,1H2,(H,12,13,17)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1
Synonyms:9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
Definition date:2008-04-28
Last modified:2020-06-17
Identifier:9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
2G6
2G6
Name:P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
Formula:C21 H36 N3 O5 P
SMILES:O=C(NCCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:InChI=1S/C21H36N3O5P/c1-16(2)13-18(19(25)22-12-11-21(3,4)5)24-30(27,28)15-23-20(26)29-14-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t18-/m0/s1
Synonyms:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide
Definition date:2013-10-11
Last modified:2020-06-17
Release date:2014-04-02
Identifier:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide
2G8
2G8
Name:P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid
Formula:C18 H30 N3 O5 P
SMILES:O=C(NCCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:InChI=1S/C18H30N3O5P/c1-4-10-19-17(22)16(11-14(2)3)21-27(24,25)13-20-18(23)26-12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,22)(H,20,23)(H2,21,24,25)/t16-/m0/s1
Synonyms:N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide
Definition date:2013-10-11
Last modified:2020-06-17
Release date:2014-04-02
Identifier:N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide
2G9
2G9
Name:P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((S)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic acid
Formula:C20 H34 N3 O5 P
SMILES:O=C(NCC(C)CC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t16-,18-/m0/s1
Synonyms:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide
Definition date:2013-10-11
Last modified:2020-06-17
Release date:2014-04-02
Identifier:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide
2GZ
2GZ
Name:P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid
Formula:C20 H34 N3 O5 P
SMILES:O=C(NCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:InChI=1S/C20H34N3O5P/c1-15(2)11-17(18(24)21-13-20(3,4)5)23-29(26,27)14-22-19(25)28-12-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1
Synonyms:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide
Definition date:2013-10-17
Last modified:2020-06-17
Release date:2014-04-02
Identifier:N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide
2H3
2H3
Name:(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
Formula:C6 H12 O6
SMILES:OC1C(O)C(O)C(O)C(O)C1O
InChi:InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3+,4+,5-,6-
Synonyms:scyllo-inositol
Definition date:2013-10-18
Last modified:2020-06-17
Release date:2015-04-15
Identifier:(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol
2HB
2HB
Name:N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
Formula:C21 H23 N5 O3 S
SMILES:O=S5(=O)CCN(Cc4ccc(c2cccc1nc(nn12)NC(=O)C3CC3)cc4)CC5
InChi:InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
Synonyms:G146034
Definition date:2014-03-28
Last modified:2020-06-17
Release date:2014-11-19
Identifier:N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
2HC
2HC
Name:(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID
Formula:C9 H8 O3
SMILES:O=C(O)/C=C/c1ccccc1O
InChi:InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
Synonyms:TRANS-2-HYDROXYCINNAMIC ACID
Definition date:2003-12-22
Last modified:2020-06-17
Identifier:(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
2K2
2K2
Name:PKC412
Formula:C35 H30 N4 O4
SMILES:O=C(c1ccccc1)N(C9C(OC)C8(OC(n6c5c3n8c2ccccc2c3c4c(C(=O)NC4)c5c7ccccc67)C9)C)C
InChi:InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
Synonyms:N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonon a[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide
Definition date:2013-11-13
Last modified:2020-06-17
Release date:2015-04-01
Identifier:N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide
2KZ
2KZ
Name:2-amino maleic acid
Formula:C4 H5 N O4
SMILES:O=C(O)C=C(N)C(=O)O
InChi:InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1+
Synonyms:(2E)-2-aminobut-2-enedioic acid
Definition date:2014-04-11
Last modified:2020-06-17
Release date:2015-03-11
Identifier:(2E)-2-aminobut-2-enedioic acid
2L0
2L0
Name:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide
Formula:C29 H49 N3 O6
SMILES:O=C(NC(CC(C)C)C(O)C(C)CO)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C
InChi:InChI=1S/C29H49N3O6/c1-18(2)13-23(26(34)21(7)16-33)30-27(35)24(14-19(3)4)31-28(36)25(15-20(5)6)32-29(37)38-17-22-11-9-8-10-12-22/h8-12,18-21,23-26,33-34H,13-17H2,1-7H3,(H,30,35)(H,31,36)(H,32,37)/t21-,23+,24+,25+,26+/m1/s1
Synonyms:PHQ-LEU-LEU-LEU-EPOXYKETONE, bound form
Definition date:2013-11-25
Last modified:2020-06-17
Release date:2014-02-12
Identifier:N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-leucinamide

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数据于2024-07-31公开中

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