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EBC
EBC
Name:N,N'-ethane-1,2-diylbis(2-iodoacetamide)
Formula:C6 H10 I2 N2 O2
SMILES:O=C(NCCNC(=O)CI)CI
InChi:InChI=1S/C6H10I2N2O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4H2,(H,9,11)(H,10,12)
Definition date:2012-05-07
Last modified:2024-09-27
Identifier:N,N'-ethane-1,2-diylbis(2-iodoacetamide)
EBH
EBH
Name:(2S)-1-bromopropan-2-ol
Formula:C3 H7 Br O
SMILES:BrCC(O)C
InChi:InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m0/s1
Definition date:2012-02-10
Last modified:2024-09-27
Release date:2013-08-07
Identifier:(2S)-1-bromopropan-2-ol
EBJ
EBJ
Name:1H-1,2,3-triazole-5-thiol
Formula:C2 H3 N3 S
SMILES:Sc1nnnc1
InChi:InChI=1S/C2H3N3S/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)
Definition date:2017-12-18
Last modified:2024-09-27
Release date:2018-01-03
Identifier:1H-1,2,3-triazole-5-thiol
EBQ
EBQ
Name:(3S)-3-hydroxybutyl alpha-D-glucopyranoside
Formula:C10 H20 O7
SMILES:C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6+,7+,8-,9+,10-/m0/s1
Synonyms:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol
Definition date:2010-06-04
Last modified:2024-09-27
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol
EC6
EC6
Name:N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
Formula:C28 H54 N4 O5
SMILES:O=C(NC(C(O)C(CC)C)CC(C)C)C(NC(=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C
InChi:InChI=1S/C28H54N4O5/c1-10-12-13-14-23(33)31-25(19(5)6)28(37)29-21(15-16-24(34)32(8)9)27(36)30-22(17-18(3)4)26(35)20(7)11-2/h18-22,25-26,35H,10-17H2,1-9H3,(H,29,37)(H,30,36)(H,31,33)/t20-,21+,22+,25+,26+/m1/s1
Synonyms:Double bound form of enone carmaphycin analogue 6
Definition date:2013-09-06
Last modified:2024-09-27
Release date:2014-07-02
Identifier:N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide
ECC
ECC
Name:(4S)-4-amino-5-hydroxypentanamide
Formula:C5 H12 N2 O2
SMILES:O=C(N)CCC(N)CO
InChi:InChI=1S/C5H12N2O2/c6-4(3-8)1-2-5(7)9/h4,8H,1-3,6H2,(H2,7,9)/t4-/m0/s1
Definition date:2011-07-21
Last modified:2024-09-27
Identifier:(4S)-4-amino-5-hydroxypentanamide
ECD
ECD
Name:(4R)-4-(2-carboxyethyl)imidazolidin-2-iminium
Formula:C6 H12 N3 O2
SMILES:O=C(O)CCC1NC(/NC1)=[NH2+]
InChi:InChI=1S/C6H11N3O2/c7-6-8-3-4(9-6)1-2-5(10)11/h4H,1-3H2,(H,10,11)(H3,7,8,9)/p+1/t4-/m1/s1
Definition date:2013-03-19
Last modified:2024-09-27
Release date:2013-07-03
Identifier:(4R)-4-(2-carboxyethyl)imidazolidin-2-iminium
ECQ
ECQ
Name:(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-2-ONE
Formula:C8 H16 N2 O2
SMILES:O=C1NCCC1CC(N)C(O)C
InChi:InChI=1S/C8H16N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h5-7,11H,2-4,9H2,1H3,(H,10,12)/t5-,6+,7+/m1/s1
Definition date:2007-06-07
Last modified:2024-09-27
Identifier:(3S)-3-[(2S,3R)-2-amino-3-hydroxybutyl]pyrrolidin-2-one
ECX
ECX
Name:S-ethyl-L-cysteine
Formula:C5 H11 N O2 S
SMILES:O=C(O)C(N)CSCC
InChi:InChI=1S/C5H11NO2S/c1-2-9-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
Definition date:2009-09-28
Last modified:2024-09-27
Identifier:S-ethyl-L-cysteine
ED0
ED0
Name:4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
Formula:C16 H12 F3 N3
SMILES:FC(F)(F)c1ccccc1Nc1cccc2CN(Cc21)C#N
InChi:InChI=1S/C16H12F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-7,21H,8-9H2
Definition date:2021-12-06
Last modified:2024-09-27
Release date:2023-06-14
Identifier:4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
EDN
EDN
Name:ETHANE-1,2-DIAMINE
Formula:C2 H8 N2
SMILES:NCCN
InChi:InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
Synonyms:ETHYLENEDIAMINE
Definition date:2010-11-15
Last modified:2024-09-27
Identifier:ethane-1,2-diamine
EDX
EDX
Name:(2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid
Formula:C15 H22 N4 O4
SMILES:NC(=N)NCCCC[CH](NC(=O)OCc1ccccc1)C(O)=O
InChi:InChI=1S/C15H22N4O4/c16-14(17)18-9-5-4-8-12(13(20)21)19-15(22)23-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,19,22)(H,20,21)(H4,16,17,18)/t12-/m0/s1
Definition date:2019-12-13
Last modified:2024-09-27
Release date:2020-10-28
Identifier:(2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid
EE3
EE3
Name:(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
Formula:C10 H15 N3 O4
SMILES:N[CH](CCCCNC(=O)c1ocnc1)C(O)=O
InChi:InChI=1S/C10H15N3O4/c11-7(10(15)16)3-1-2-4-13-9(14)8-5-12-6-17-8/h5-7H,1-4,11H2,(H,13,14)(H,15,16)/t7-/m0/s1
Definition date:2019-12-13
Last modified:2024-09-27
Release date:2020-10-28
Identifier:(2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
EEE
EEE
Name:ETHYL ACETATE
Formula:C4 H8 O2
SMILES:O=C(OCC)C
InChi:InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:ethyl acetate
EEN
EEN
Name:2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose
Formula:C8 H13 F2 N O6
SMILES:OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O
InChi:InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8+/m1/s1
Synonyms:N-DIFLUOROACETYL-D-GALACTOSAMINE
Definition date:2018-03-16
Last modified:2024-09-27
Release date:2019-02-20
Identifier:2,2-bis(fluoranyl)-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
EEQ
EEQ
Name:2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose
Formula:C8 H14 F N O6
SMILES:OC[CH]1O[CH](O)[CH](NC(=O)CF)[CH](O)[CH]1O
InChi:InChI=1S/C8H14FNO6/c9-1-4(12)10-5-7(14)6(13)3(2-11)16-8(5)15/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6+,7-,8+/m1/s1
Synonyms:2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
Definition date:2018-03-16
Last modified:2024-09-27
Release date:2019-02-20
Identifier:2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
EEY
EEY
Name:2-chloro-5-nitro-N-(pyridin-4-yl)benzamide
Formula:C12 H8 Cl N3 O3
SMILES:C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)=O
InChi:InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
Definition date:2018-01-08
Last modified:2024-09-27
Release date:2018-12-12
Identifier:2-chloro-5-nitro-N-(pyridin-4-yl)benzamide
EF3
EF3
Name:(E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine
Formula:C23 H27 F3 N6 O
SMILES:FC(F)(F)c4cc(c1nc(C=[N@H])c2ncn(c2c1)C)ccc4OCCCN3CCN(CC3)C
InChi:InChI=1S/C23H27F3N6O/c1-30-7-9-32(10-8-30)6-3-11-33-21-5-4-16(12-17(21)23(24,25)26)18-13-20-22(19(14-27)29-18)28-15-31(20)2/h4-5,12-15,27H,3,6-11H2,1-2H3/b27-14+
Definition date:2010-05-25
Last modified:2024-09-27
Identifier:(E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine
EFC
EFC
Name:S,S-(2-FLUOROETHYL)THIOCYSTEINE
Formula:C5 H10 F N O2 S2
SMILES:FCCSSCC(C(=O)O)N
InChi:InChI=1S/C5H10FNO2S2/c6-1-2-10-11-3-4(7)5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1
Definition date:1999-07-08
Last modified:2024-09-27
Identifier:3-[(2-fluoroethyl)disulfanyl]-L-alanine
EFH
EFH
Name:(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one
Formula:C28 H24 F N5 O4
SMILES:Fc1cccc(c1)[CH]2[CH](N(C3CCN(CC3)C(=O)n4nnc5ccccc45)C2=O)c6ccc7OCOc7c6
InChi:InChI=1S/C28H24FN5O4/c29-19-5-3-4-17(14-19)25-26(18-8-9-23-24(15-18)38-16-37-23)33(27(25)35)20-10-12-32(13-11-20)28(36)34-22-7-2-1-6-21(22)30-31-34/h1-9,14-15,20,25-26H,10-13,16H2/t25-,26-/m1/s1
Definition date:2023-07-18
Last modified:2024-09-27
Release date:2024-01-31
Identifier:(3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one
EFI
EFI
Name:(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile
Formula:C16 H18 F3 N3
SMILES:FC(F)(F)c1cc(ccc1)NC1CCCC2CN(CC21)C#N
InChi:InChI=1S/C16H18F3N3/c17-16(18,19)12-4-2-5-13(7-12)21-15-6-1-3-11-8-22(10-20)9-14(11)15/h2,4-5,7,11,14-15,21H,1,3,6,8-9H2/t11-,14+,15-/m1/s1
Definition date:2021-12-06
Last modified:2024-09-27
Release date:2023-06-14
Identifier:(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile
EFS
EFS
Name:ETHYL DIHYDROGEN PHOSPHATE
Formula:C2 H7 O4 P
SMILES:O=P(O)(O)OCC
InChi:InChI=1S/C2H7O4P/c1-2-6-7(3,4)5/h2H2,1H3,(H2,3,4,5)
Definition date:2003-04-30
Last modified:2024-09-27
Identifier:ethyl dihydrogen phosphate
EGF
EGF
Name:~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
Formula:C33 H41 N5 O8
SMILES:CC(C)[CH](NC(=O)c1cc(C)on1)C(=O)N[CH]2[CH](OCCC=CCOC(=O)C=C[CH](C[CH]3CCNC3=O)NC2=O)c4ccccc4
InChi:InChI=1S/C33H41N5O8/c1-20(2)27(36-31(41)25-18-21(3)46-38-25)32(42)37-28-29(22-10-6-4-7-11-22)45-17-9-5-8-16-44-26(39)13-12-24(35-33(28)43)19-23-14-15-34-30(23)40/h4-8,10-13,18,20,23-24,27-29H,9,14-17,19H2,1-3H3,(H,34,40)(H,35,43)(H,36,41)(H,37,42)/b8-5+,13-12-/t23-,24+,27-,28-,29-/m0/s1
Definition date:2019-12-20
Last modified:2024-09-27
Release date:2020-06-17
Identifier:~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
EGK
EGK
Name:(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile
Formula:C16 H18 F3 N3
SMILES:FC(F)(F)c1ccccc1NC1CCCC2CN(CC21)C#N
InChi:InChI=1S/C16H18F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-2,5-6,11-12,14,21H,3-4,7-9H2/t11-,12+,14-/m1/s1
Definition date:2021-12-06
Last modified:2024-09-27
Release date:2023-06-14
Identifier:(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile
EHZ
EHZ
Name:~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate
Formula:C25 H49 N2 O9 P S
SMILES:CCCCCCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:InChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1
Definition date:2018-03-23
Last modified:2024-09-27
Release date:2018-06-06
Identifier:~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate

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数据于2025-10-15公开中

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