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RFT
RFT
Name:butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
Formula:C15 H24 N2 O3 S3
SMILES:C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O
InChi:InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20)
Definition date:2020-05-13
Last modified:2020-11-06
Release date:2020-11-11
Identifier:butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
Q94
Q94
Name:N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Formula:C12 H16 N8 O2 S2
SMILES:c3(N1CCC(C1)Nc2nnc(NC(C)=O)s2)sc(nn3)NC(C)=O
InChi:InChI=1S/C12H16N8O2S2/c1-6(21)13-9-16-17-11(23-9)15-8-3-4-20(5-8)12-19-18-10(24-12)14-7(2)22/h8H,3-5H2,1-2H3,(H,15,17)(H,13,16,21)(H,14,18,22)/t8-/m1/s1
Definition date:2019-10-04
Last modified:2020-10-02
Release date:2020-10-07
Identifier:N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
DW9
DW9
Name:2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol
Formula:C14 H10 N4 O2 S4
SMILES:Nc1sc2cc(SSc3cc(O)c4nc(N)sc4c3)cc(O)c2n1
InChi:InChI=1S/C14H10N4O2S4/c15-13-17-11-7(19)1-5(3-9(11)21-13)23-24-6-2-8(20)12-10(4-6)22-14(16)18-12/h1-4,19-20H,(H2,15,17)(H2,16,18)
Definition date:2019-09-13
Last modified:2020-08-28
Release date:2020-09-02
Identifier:2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol
TQ7
TQ7
Name:5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide
Formula:C19 H16 Br N O S
SMILES:c3c(Br)sc(C(=O)N(C(c1ccccc1)c2ccccc2)C)c3
InChi:InChI=1S/C19H16BrNOS/c1-21(19(22)16-12-13-17(20)23-16)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3
Definition date:2020-03-26
Last modified:2020-08-28
Release date:2020-09-02
Identifier:5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide
CJA
CJA
Name:3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
Formula:C17 H20 N2 O S3
SMILES:c3c2c(c1c(SC)scc1CC2)nc(SCC(C(C)(C)C)=O)n3
InChi:InChI=1S/C17H20N2OS3/c1-17(2,3)12(20)9-23-16-18-7-10-5-6-11-8-22-15(21-4)13(11)14(10)19-16/h7-8H,5-6,9H2,1-4H3
Definition date:2017-09-26
Last modified:2020-08-14
Release date:2020-08-19
Identifier:3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
QBA
QBA
Name:4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid)
Formula:C29 H28 O10 S2
SMILES:O=C(O)CCC(=O)c1cc2c(s1)cc(c(c2)OC)OCCCOc3c(cc4c(c3)sc(C(=O)CCC(O)=O)c4)OC
InChi:InChI=1S/C29H28O10S2/c1-36-20-10-16-12-26(18(30)4-6-28(32)33)40-24(16)14-22(20)38-8-3-9-39-23-15-25-17(11-21(23)37-2)13-27(41-25)19(31)5-7-29(34)35/h10-15H,3-9H2,1-2H3,(H,32,33)(H,34,35)
Definition date:2019-10-10
Last modified:2020-08-14
Release date:2020-08-19
Identifier:4,4'-{propane-1,3-diylbis[oxy(5-methoxy-1-benzothiene-6,2-diyl)]}bis(4-oxobutanoic acid)
LWZ
LWZ
Name:3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide
Formula:C6 H10 N4 O S2
SMILES:SC(S)CC(=O)NCc1c[nH]nn1
InChi:InChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10)
Definition date:2019-09-25
Last modified:2020-07-31
Release date:2020-08-05
Identifier:3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide
R74
R74
Name:N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide
Formula:C18 H19 N3 O4 S
SMILES:O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3
InChi:InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1
Definition date:2020-02-04
Last modified:2020-07-31
Release date:2020-08-05
Identifier:N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide
YDR
YDR
Name:6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose
Formula:C12 H22 O10 S
SMILES:S(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O10S/c13-1-3-5(14)8(17)10(19)12(22-3)23-2-4-6(15)7(16)9(18)11(20)21-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1
Definition date:2011-02-24
Last modified:2020-07-17
Identifier:6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose
GLT
GLT
Name:5-thio-alpha-D-glucopyranose
Formula:C6 H12 O5 S
SMILES:OC1C(O)C(SC(O)C1O)CO
InChi:InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
Synonyms:5-DEOXY-5-THIO-ALPHA-D-GLUCOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:5-thio-alpha-D-glucopyranose
7K2
7K2
Name:[(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-D-mannopyranoside
Formula:C12 H23 N O7 S
SMILES:OC[CH]1O[CH](SC[CH]2CNC[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C12H23NO7S/c14-3-7-9(17)10(18)11(19)12(20-7)21-4-5-1-13-2-6(15)8(5)16/h5-19H,1-4H2/t5-,6-,7-,8-,9-,10+,11+,12-/m1/s1
Synonyms:(2~{R},3~{S},4~{S},5~{S},6~{R})-2-[[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methylsulfanyl]-6-(hydroxymethy l)oxane-3,4,5-triol
Definition date:2016-11-03
Last modified:2020-07-17
Release date:2017-08-09
Identifier:(2~{R},3~{S},4~{S},5~{S},6~{R})-2-[[(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methylsulfanyl]-6-(hydroxymethy l)oxane-3,4,5-triol
LKA
LKA
Name:5-thio-alpha-D-mannopyranosylamine
Formula:C6 H13 N O4 S
SMILES:OC1C(O)C(SC(N)C1O)CO
InChi:InChI=1S/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1
Synonyms:5-THIO-A/B-D-MANNOPYRANOSYLAMINE
Definition date:2003-10-07
Last modified:2020-07-17
Identifier:5-thio-alpha-D-mannopyranosylamine
MA2
MA2
Name:4-S-methyl-4-thio-alpha-D-glucopyranose
Formula:C7 H14 O5 S
SMILES:OC1C(SC)C(OC(O)C1O)CO
InChi:InChI=1S/C7H14O5S/c1-13-6-3(2-8)12-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
Synonyms:4-S-methyl-4-thio-alpha-D-glucose
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:4-S-methyl-4-thio-alpha-D-glucopyranose
SZZ
SZZ
Name:Sinigrin
Formula:C10 H17 N O9 S2
SMILES:OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
Definition date:2016-11-16
Last modified:2020-07-17
Release date:2017-07-05
Identifier:[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{E})-~{N}-sulfooxybut-3-enimidothioate
TMR
TMR
Name:2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose
Formula:C7 H14 O3 S
SMILES:S(C1C(OC(O)CC1O)C)C
InChi:InChI=1S/C7H14O3S/c1-4-7(11-2)5(8)3-6(9)10-4/h4-9H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1
Synonyms:2,6-DIDEOXY-4-THIOMETHYL-BETA-D-RIBOHEXOPYRANOSIDE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2,6-dideoxy-4-S-methyl-4-thio-beta-D-ribo-hexopyranose
NDQ
NDQ
Name:2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Formula:C12 H19 N4 O8 P2 S
SMILES:COc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1
InChi:InChI=1S/C12H18N4O8P2S/c1-8-10(3-4-23-26(20,21)24-25(17,18)19)27-7-16(8)6-9-5-14-12(22-2)15-11(9)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
Definition date:2019-11-26
Last modified:2020-07-03
Release date:2020-07-08
Identifier:2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
94W
94W
Name:6-methoxy-1,3-benzothiazol-2-amine
Formula:C8 H8 N2 O S
SMILES:n1c2ccc(OC)cc2sc1N
InChi:InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)
Definition date:2014-06-12
Last modified:2020-06-27
Release date:2014-11-05
Identifier:6-methoxy-1,3-benzothiazol-2-amine
G6R
G6R
Name:N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide
Formula:C34 H42 F2 N4 O6 S2
SMILES:c7c(CC(C(CN(CC(C)C)S(c1ccc2c(c1)sc(n2)NC3CC3)(=O)=O)O)NC(CC6C5CC4C6COC4OC5)=O)cc(cc7F)F
InChi:InChI=1S/C34H42F2N4O6S2/c1-18(2)14-40(48(43,44)24-5-6-28-31(12-24)47-34(39-28)37-23-3-4-23)15-30(41)29(9-19-7-21(35)11-22(36)8-19)38-32(42)13-25-20-10-26-27(25)17-46-33(26)45-16-20/h5-8,11-12,18,20,23,25-27,29-30,33,41H,3-4,9-10,13-17H2,1-2H3,(H,37,39)(H,38,42)/t20-,25+,26-,27+,29+,30-,33+/m1/s1
Definition date:2019-12-31
Last modified:2020-06-26
Release date:2020-07-01
Identifier:N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide
3QB
3QB
Name:LINCOMYCIN
Formula:C18 H34 N2 O6 S
SMILES:O=C(NC(C1OC(SC)C(O)C(O)C1O)C(O)C)C2N(C)CC(CCC)C2
InChi:InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1
Synonyms:methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside
Definition date:2014-10-07
Last modified:2020-06-17
Release date:2014-11-05
Identifier:methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside
HGD
HGD
Name:mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)
Formula:C20 H32 Hg N6 O12 S2
SMILES:O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N
InChi:InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16
Synonyms:S-Mercury glutathione
Definition date:2013-10-31
Last modified:2020-06-17
Release date:2014-03-19
Identifier:mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)
Z89
Z89
Name:(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
Formula:C15 H9 Br N2 O6 S2
SMILES:OC(=O)C[CH](N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C(O)=O
InChi:InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-/t8-/m1/s1
Synonyms:N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
Definition date:2010-01-24
Last modified:2020-06-17
Identifier:(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
VA1
VA1
Name:{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID
Formula:C11 H10 B N O4 S
SMILES:O=CN(C=O)Cc2cc1c(sc(c1)B(O)O)cc2
InChi:InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2
Synonyms:5-DIFORMYLAMINOMETHYL-BENZO[B]THIOPHEN-2-BORONIC ACID
Definition date:2006-09-01
Last modified:2020-06-17
Identifier:{5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid
VNP
VNP
Name:3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-(2-{[HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-I UM
Formula:C12 H20 N5 O6 P2 S
SMILES:O=P(O)(O)NP(=O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2)C)N
InChi:InChI=1S/C12H19N5O6P2S/c1-8-11(3-4-23-25(21,22)16-24(18,19)20)26-7-17(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,16,18,19,20,21,22)/p+1
Synonyms:THIAMIN-PNP
Definition date:2006-03-14
Last modified:2020-06-17
Identifier:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium
51Q
51Q
Name:(2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid
Formula:C6 H7 N3 O4 S
SMILES:OC(=O)C(SC=1C(=O)NC(O)=NN=1)C
InChi:InChI=1S/C6H7N3O4S/c1-2(5(11)12)14-4-3(10)7-6(13)9-8-4/h2H,1H3,(H,11,12)(H2,7,9,10,13)/t2-/m0/s1
Synonyms:TyC5-03
Definition date:2015-07-13
Last modified:2020-06-17
Release date:2016-10-19
Identifier:(2S)-2-[(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)sulfanyl]propanoic acid
55X
55X
Name:S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)
Formula:C48 H75 N7 O15 P2 S
SMILES:C(SC(C(C)CCCC(C)C4CCC3C4(CCC2C1(CCC(=O)C=C1CCC23)C)C)=O)CNC(=O)CCNC(=O)C(O)C(COP(OCC5C(C(C(O5)n6cnc7c6ncnc7N)O)OP(O)(=O)O)(O)=O)(C)C
InChi:InChI=1S/C48H75N7O15P2S/c1-27(32-12-13-33-31-11-10-29-22-30(56)14-17-47(29,5)34(31)15-18-48(32,33)6)8-7-9-28(2)45(61)73-21-20-50-36(57)16-19-51-43(60)40(59)46(3,4)24-68-72(65,66)67-23-35-39(70-71(62,63)64)38(58)44(69-35)55-26-54-37-41(49)52-25-53-42(37)55/h22,25-28,31-35,38-40,44,58-59H,7-21,23-24H2,1-6H3,(H,50,57)(H,51,60)(H,65,66)(H2,49,52,53)(H2,62,63,64)/t27-,28+,31+,32-,33+,34+,35?,38?,39?,40?,44?,47+,48-/m1/s1
Synonyms:S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxi do-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2S,6R)-6-[(8S,9S,10R,13R,14R,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)
Definition date:2015-07-31
Last modified:2020-06-17
Release date:2016-02-17
Identifier:S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12-dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)

221371

數據於2024-06-19公開中

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