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CY4

CY4
Name:	S-BUTYRYL-CYSTEIN
Formula:	C7 H13 N O3 S
SMILES:	O=C(O)C(N)CSC(=O)CCC
InChi:	InChI=1S/C7H13NO3S/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
Definition date:	2002-07-10
Last modified:	2023-11-03
Identifier:	S-butanoyl-L-cysteine

CYW

CYW
Name:	S-[(2R)-2-hydroxypropanoyl]-L-cysteine
Formula:	C6 H11 N O4 S
SMILES:	O=C(SCC(C(=O)O)N)C(O)C
InChi:	InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h3-4,8H,2,7H2,1H3,(H,9,10)/t3-,4+/m1/s1
Synonyms:	lactoylglutathione
Definition date:	2011-02-16
Last modified:	2023-11-03
Identifier:	S-[(2R)-2-hydroxypropanoyl]-L-cysteine

CZS

CZS
Name:	3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine
Formula:	C10 H9 Cl N2 O2 S
SMILES:	NC(Cc2sc1cc(Cl)ccc1n2)C(=O)O
InChi:	InChI=1S/C10H9ClN2O2S/c11-5-1-2-7-8(3-5)16-9(13-7)4-6(12)10(14)15/h1-3,6H,4,12H2,(H,14,15)/t6-/m0/s1
Definition date:	2017-10-09
Last modified:	2023-11-03
Release date:	2018-02-28
Identifier:	3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine

QCS

QCS
Name:	S-carbamoyl-L-cysteine
Formula:	C4 H8 N2 O3 S
SMILES:	O=C(SCC(C(=O)O)N)N
InChi:	InChI=1S/C4H8N2O3S/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1
Definition date:	2013-10-21
Last modified:	2023-11-03
Release date:	2013-12-18
Identifier:	S-carbamoyl-L-cysteine

D2T

D2T
Name:	(3R)-3-(methylsulfanyl)-L-aspartic acid
Formula:	C5 H9 N O4 S
SMILES:	NC(C(=O)O)C(SC)C(=O)O
InChi:	InChI=1S/C5H9NO4S/c1-11-3(5(9)10)2(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3+/m0/s1
Definition date:	2015-03-02
Last modified:	2023-11-03
Release date:	2015-03-18
Identifier:	(3R)-3-(methylsulfanyl)-L-aspartic acid

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:	2023-11-03
Identifier:	S-ethyl-L-cysteine

EYZ

EYZ
Name:	(2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid
Formula:	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
Definition date:	2018-05-08
Last modified:	2023-11-03
Release date:	2018-05-16
Identifier:	(2~{S})-2-azanyl-6-[[(3~{R})-4-oxidanyl-4-oxidanylidene-3-phenylsulfanyl-butanoyl]amino]hexanoic acid

DQK

DQK
Name:	(2~{S})-4-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid
Formula:	C20 H24 N2 O4 S
SMILES:	N[CH](CCCCNC(=O)C[CH](Sc1ccc2ccccc2c1)C(O)=O)C=O
InChi:	InChI=1S/C20H24N2O4S/c21-16(13-23)7-3-4-10-22-19(24)12-18(20(25)26)27-17-9-8-14-5-1-2-6-15(14)11-17/h1-2,5-6,8-9,11,13,16,18H,3-4,7,10,12,21H2,(H,22,24)(H,25,26)/t16-,18-/m0/s1
Definition date:	2018-01-26
Last modified:	2023-11-03
Release date:	2018-04-18
Identifier:	(2~{S})-4-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-2-naphthalen-2-ylsulfanyl-4-oxidanylidene-butanoic acid

FZN

FZN
Name:	(2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid
Formula:	C23 H37 N7 O15 P2 S
SMILES:	O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(SC(=N/CCCCC(C(=O)O)N)C)C(O)C4O
InChi:	InChI=1S/C23H37N7O15P2S/c1-10(26-5-3-2-4-11(24)22(35)36)48-23-18(34)16(32)13(44-23)7-42-47(39,40)45-46(37,38)41-6-12-15(31)17(33)21(43-12)30-9-29-14-19(25)27-8-28-20(14)30/h8-9,11-13,15-18,21,23,31-34H,2-7,24H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H2,25,27,28)/b26-10-/t11-,12+,13+,15+,16+,17+,18+,21+,23+/m0/s1
Definition date:	2008-06-18
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid (non-preferred name)

1ME

1ME
Name:	(2S)-2-AMINO-3-METHYLSULFANYL-BUTANOIC ACID
Formula:	C5 H11 N O2 S
SMILES:	CS[CH](C)[CH](N)C(O)=O
InChi:	InChI=1S/C5H11NO2S/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m0/s1
Definition date:	2011-01-24
Last modified:	2023-09-23
Identifier:	(2~{S})-2-azanyl-3-methylsulfanyl-butanoic acid

MW6

MW6
Name:	(3S)-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione
Formula:	C12 H14 N2 O2 S
SMILES:	Nc1cccc(SC[CH]2CCC(=O)NC2=O)c1
InChi:	InChI=1S/C12H14N2O2S/c13-9-2-1-3-10(6-9)17-7-8-4-5-11(15)14-12(8)16/h1-3,6,8H,4-5,7,13H2,(H,14,15,16)/t8-/m1/s1
Definition date:	2022-08-04
Last modified:	2023-09-23
Release date:	2023-01-11
Identifier:	(3~{S})-3-[(3-aminophenyl)sulfanylmethyl]piperidine-2,6-dione

V3O

V3O
Name:	N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide
Formula:	C15 H13 Cl N4 O S2
SMILES:	CC(=O)Nc1nc(C)c(s1)c1csc(Nc2ccc(Cl)cc2)n1
InChi:	InChI=1S/C15H13ClN4OS2/c1-8-13(23-15(17-8)18-9(2)21)12-7-22-14(20-12)19-11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,20)(H,17,18,21)
Definition date:	2023-09-07
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide

ZI9

ZI9
Name:	3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide
Formula:	C16 H9 F2 N3 O2 S
SMILES:	NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F
InChi:	InChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22)
Definition date:	2023-01-05
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide

IC2

IC2
Name:	5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
Formula:	C20 H17 F3 N4 O2 S
SMILES:	CC1(C)N(Cc2c[nH]c3ncccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4
InChi:	InChI=1S/C20H17F3N4O2S/c1-19(2)17(28)27(13-5-7-14(8-6-13)30-20(21,22)23)18(29)26(19)11-12-10-25-16-15(12)4-3-9-24-16/h3-10H,11H2,1-2H3,(H,24,25)
Definition date:	2023-07-28
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	5,5-dimethyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

IE0

IE0
Name:	(5S)-5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
Formula:	C19 H15 F3 N4 O2 S
SMILES:	C[CH]1N(Cc2ccnc3[nH]ccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4
InChi:	InChI=1S/C19H15F3N4O2S/c1-11-17(27)26(13-2-4-14(5-3-13)29-19(20,21)22)18(28)25(11)10-12-6-8-23-16-15(12)7-9-24-16/h2-9,11H,10H2,1H3,(H,23,24)/t11-/m0/s1
Definition date:	2023-07-28
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	(5~{S})-5-methyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

IED

IED
Name:	5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
Formula:	C20 H17 F3 N4 O2 S
SMILES:	CC1(C)N(Cc2ccnc3[nH]ccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4
InChi:	InChI=1S/C20H17F3N4O2S/c1-19(2)17(28)27(13-3-5-14(6-4-13)30-20(21,22)23)18(29)26(19)11-12-7-9-24-16-15(12)8-10-25-16/h3-10H,11H2,1-2H3,(H,24,25)
Definition date:	2023-07-28
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	5,5-dimethyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

WFI

WFI
Name:	1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine
Formula:	C10 H11 N3 S
SMILES:	NCc1sc(nc1C)c1ccncc1
InChi:	InChI=1S/C10H11N3S/c1-7-9(6-11)14-10(13-7)8-2-4-12-5-3-8/h2-5H,6,11H2,1H3
Definition date:	2022-09-06
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine

P6I

P6I
Name:	N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
Formula:	C23 H19 Cl N2 O S2
SMILES:	Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(SC)cc2)sc1
InChi:	InChI=1S/C23H19ClN2OS2/c1-28-20-8-6-19(7-9-20)26(14-21-11-18(24)15-29-21)23(27)10-17-13-25-12-16-4-2-3-5-22(16)17/h2-9,11-13,15H,10,14H2,1H3
Definition date:	2022-05-25
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide

MUO

MUO
Name:	2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid
Formula:	C22 H24 O4 S
SMILES:	CSc1ccc(cc1)C(=O)C=Cc2cc(C)c(OC(C)(C)C(O)=O)c(C)c2
InChi:	InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+
Synonyms:	elafibranor
Definition date:	2023-01-05
Last modified:	2023-08-04
Release date:	2023-08-09
Identifier:	2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid

IYV

IYV
Name:	(2R,3R,4S,5R,6R)-2-[(1R,2R)-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol
Formula:	C9 H19 N O5 S
SMILES:	CS[CH]1O[CH]([CH](N)[CH](C)O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H19NO5S/c1-3(11)4(10)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,11-14H,10H2,1-2H3/t3-,4-,5+,6-,7-,8-,9-/m1/s1
Definition date:	2022-08-04
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol

ZV2

ZV2
Name:	2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide
Formula:	C11 H11 F N3 O S
SMILES:	Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
InChi:	InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide

W8H

W8H
Name:	(2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid
Formula:	C19 H21 Cl O2 S2
SMILES:	Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O)O)cc1
InChi:	InChI=1S/C19H21ClO2S2/c1-14-5-9-17(10-6-14)24-18(19(21)22)4-2-3-13-23-16-11-7-15(20)8-12-16/h5-12,18H,2-4,13H2,1H3,(H,21,22)/t18-/m0/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2S)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid

W9K

W9K
Name:	(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione
Formula:	C13 H11 N O3 S2
SMILES:	Oc1ccc(cc1)C1=CC2(CCS1)SC(=O)NC2=O
InChi:	InChI=1S/C13H11NO3S2/c15-9-3-1-8(2-4-9)10-7-13(5-6-18-10)11(16)14-12(17)19-13/h1-4,7,15H,5-6H2,(H,14,16,17)/t13-/m1/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5R)-7-(4-hydroxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione

WA4

WA4
Name:	5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol
Formula:	C11 H5 F6 N O S2
SMILES:	FC(F)(F)Sc1cc(SC(F)(F)F)c2cccnc2c1O
InChi:	InChI=1S/C11H5F6NOS2/c12-10(13,14)20-6-4-7(21-11(15,16)17)9(19)8-5(6)2-1-3-18-8/h1-4,19H
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol

WJQ

WJQ
Name:	(5s,8s)-8-(3-bromophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione
Formula:	C12 H10 Br N O4 S
SMILES:	Brc1cccc(c1)C1OCC2(CO1)SC(=O)NC2=O
InChi:	InChI=1S/C12H10BrNO4S/c13-8-3-1-2-7(4-8)9-17-5-12(6-18-9)10(15)14-11(16)19-12/h1-4,9H,5-6H2,(H,14,15,16)/t9-,12+
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5s,8s)-8-(3-bromophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione

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