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U8Z

U8Z
Name:	[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate
Formula:	C3 H7 O6 P
SMILES:	OCC(O)=CO[P](O)(O)=O
InChi:	InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h2,4-5H,1H2,(H2,6,7,8)/b3-2+
Definition date:	2021-02-03
Last modified:	2024-09-27
Release date:	2021-04-14
Identifier:	[(~{E})-2,3-bis(oxidanyl)prop-1-enyl] dihydrogen phosphate

PSK

PSK
Name:	[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID
Formula:	C7 H15 O4 P
SMILES:	O=C(C(C(O)CC)C)CP(=O)O
InChi:	InChI=1S/C7H15O4P/c1-3-6(8)5(2)7(9)4-12(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
Definition date:	2006-06-06
Last modified:	2024-09-27
Identifier:	(S)-[(3R,4S)-4-hydroxy-3-methyl-2-oxohexyl]phosphinic acid

4G9

4G9
Name:	2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
Formula:	C10 H12 Cl2 N2 O3 S
SMILES:	Clc1c(cc(cc1)NC(=O)CCl)S(=O)(N(C)C)=O
InChi:	InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

UMA

UMA
Name:	URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
Formula:	C23 H36 N4 O20 P2
SMILES:	O=P(OC1OC(C(O)C(OC(C(=O)NC(C(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-{[(2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoic acid (non-preferred name)

KHR

KHR
Name:	3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine
Formula:	C21 H20 F N5 O4 S
SMILES:	COc1ccc(cc1O[S](F)(=O)=O)c2c(C)nn3c(NCc4ccncc4)cc(C)nc23
InChi:	InChI=1S/C21H20FN5O4S/c1-13-10-19(24-12-15-6-8-23-9-7-15)27-21(25-13)20(14(2)26-27)16-4-5-17(30-3)18(11-16)31-32(22,28)29/h4-11,24H,12H2,1-3H3
Definition date:	2023-08-14
Last modified:	2024-09-27
Release date:	2023-12-13
Identifier:	3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine

XX0

XX0
Name:	2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide
Formula:	C12 H14 Cl2 N2 O4 S
SMILES:	C(C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2)Cl
InChi:	InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-9-1-2-10(14)11(7-9)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
Definition date:	2019-07-03
Last modified:	2024-09-27
Release date:	2019-07-24
Identifier:	2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide

YAC

YAC
Name:	(4Z)-6-oxo-6-phenylhex-4-enoic acid
Formula:	C12 H12 O3
SMILES:	O=C(C=C/CCC(=O)O)c1ccccc1
InChi:	InChI=1S/C12H12O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,14,15)/b8-4-
Definition date:	2014-10-02
Last modified:	2024-09-27
Release date:	2014-12-03
Identifier:	(4Z)-6-oxo-6-phenylhex-4-enoic acid

XX1

XX1
Name:	N~6~-7H-PURIN-6-YL-L-LYSINE
Formula:	C11 H16 N6 O2
SMILES:	O=C(O)C(N)CCCCNc1ncnc2ncnc12
InChi:	InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1
Definition date:	2007-04-26
Last modified:	2024-09-27
Identifier:	N~6~-7H-purin-6-yl-L-lysine

NQ0

NQ0
Name:	2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C18 H23 Cl2 N3 O2
SMILES:	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Nc3ccc(Cl)cc3
InChi:	InChI=1S/C18H23Cl2N3O2/c19-11-16(24)21-12-13-5-9-23(10-6-13)17(25)18(7-8-18)22-15-3-1-14(20)2-4-15/h1-4,13,22H,5-12H2,(H,21,24)
Definition date:	2022-08-17
Last modified:	2024-09-27
Release date:	2023-09-20
Identifier:	2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide

4GB

4GB
Name:	N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide
Formula:	C17 H26 N2 O4 S2
SMILES:	O=S(c1ccc(OCSCC)c(c1)NC(=O)C)(=O)N2CCCCCC2
InChi:	InChI=1S/C17H26N2O4S2/c1-3-24-13-23-17-9-8-15(12-16(17)18-14(2)20)25(21,22)19-10-6-4-5-7-11-19/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,18,20)
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide

UMC

UMC
Name:	2'-deoxy-5'-uridylic acid
Formula:	C9 H15 N2 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1)CC2O
InChi:	InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h5-6,8,12H,1-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
Definition date:	2012-08-03
Last modified:	2024-09-27
Release date:	2012-08-24
Identifier:	2'-deoxy-5'-uridylic acid

M3V

M3V
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C16 H16 N4 O4
SMILES:	NC(C2=NC(=[C@H]c1ccc(cc1)C#N)C(N2CC(O)=O)=O)C(O)C
InChi:	InChI=1S/C16H16N4O4/c1-9(21)14(18)15-19-12(16(24)20(15)8-13(22)23)6-10-2-4-11(7-17)5-3-10/h2-6,9,14,21H,8,18H2,1H3,(H,22,23)/b12-6-/t9-,14+/m1/s1
Definition date:	2019-03-21
Last modified:	2024-09-27
Release date:	2020-08-05
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-cyanophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

KWZ

KWZ
Name:	4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
Formula:	C20 H21 F3 N4
SMILES:	FC(F)(F)c1cccc(c1)c2cc(CCCN3CCCCC3)nc(n2)C#N
InChi:	InChI=1S/C20H21F3N4/c21-20(22,23)16-7-4-6-15(12-16)18-13-17(25-19(14-24)26-18)8-5-11-27-9-2-1-3-10-27/h4,6-7,12-13H,1-3,5,8-11H2
Definition date:	2009-12-09
Last modified:	2024-09-27
Identifier:	4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile

PSN

PSN
Name:	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE
Formula:	C14 H13 O5 P
SMILES:	O=P(OCc1ccccc1)(Oc2ccccc2C=O)O
InChi:	InChI=1S/C14H13O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,16,17)
Synonyms:	PASBN
Definition date:	2003-06-20
Last modified:	2024-09-27
Identifier:	benzyl 2-formylphenyl hydrogen (R)-phosphate

S7H

S7H
Name:	1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
Formula:	C12 H17 N3 O6
SMILES:	C[CH](O)CN1C(=O)N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C1=O
InChi:	InChI=1S/C12H17N3O6/c1-7(16)2-13-10(17)14(3-8-5-20-8)12(19)15(11(13)18)4-9-6-21-9/h7-9,16H,2-6H2,1H3/t7-,8-,9+/m1/s1
Definition date:	2020-11-10
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione

O5C

O5C
Name:	1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
Formula:	C18 H14 F N O2
SMILES:	Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O
InChi:	InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3
Definition date:	2023-08-16
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one

YNM

YNM
Name:	N-METHYL-L-TYROSINE
Formula:	C10 H13 N O3
SMILES:	O=C(O)C(NC)Cc1ccc(O)cc1
InChi:	InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1
Definition date:	2009-09-03
Last modified:	2024-09-27
Identifier:	N-methyl-L-tyrosine

MIR

MIR
Name:	Monoethylphosphorylserine
Formula:	C5 H12 N O6 P
SMILES:	O=P(OCC)(OCC(N)C(=O)O)O
InChi:	InChI=1S/C5H12NO6P/c1-2-11-13(9,10)12-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
Synonyms:	O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine
Definition date:	2009-06-04
Last modified:	2024-09-27
Identifier:	O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine

T13

T13
Name:	2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
Formula:	C13 H7 F6 N O3 S
SMILES:	Fc1cc(ccc1OC)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F
InChi:	InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3
Definition date:	2009-05-28
Last modified:	2024-09-27
Identifier:	2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide

PSR

PSR
Name:	THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER
Formula:	C15 H29 N2 O8 P S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CCC
InChi:	InChI=1S/C15H29N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h13,20H,4-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/t13-/m1/s1
Definition date:	2002-02-26
Last modified:	2024-09-27
Identifier:	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] butanethioate

4GG

4GG
Name:	2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide
Formula:	C15 H19 N3 O S
SMILES:	O=C(CSCC)N(C)Cc1cn(nc1)c2ccccc2
InChi:	InChI=1S/C15H19N3OS/c1-3-20-12-15(19)17(2)10-13-9-16-18(11-13)14-7-5-4-6-8-14/h4-9,11H,3,10,12H2,1-2H3
Definition date:	2015-03-17
Last modified:	2024-09-27
Release date:	2016-10-12
Identifier:	2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide

MIS

MIS
Name:	MONOISOPROPYLPHOSPHORYLSERINE
Formula:	C6 H14 N O6 P
SMILES:	O=P(OCC(N)C(=O)O)(OC(C)C)O
InChi:	InChI=1S/C6H14NO6P/c1-4(2)13-14(10,11)12-3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	O-[(R)-hydroxy(1-methylethoxy)phosphoryl]-L-serine

VUB

VUB
Name:	2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid
Formula:	C17 H21 N3 O4
SMILES:	CC(C)CC(=N)c1nc(Cc2ccc(O)cc2)c(O)n1CC(O)=O
InChi:	InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,10,18,21,24H,7-9H2,1-2H3,(H,22,23)/b18-13-
Definition date:	2023-04-05
Last modified:	2024-09-27
Release date:	2023-04-12
Identifier:	2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid

M40

M40
Name:	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H35 N3 O8 S
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(CC2C(=O)NCC2)C(O)S(=O)(=O)O)CC3CCCCC3
InChi:	InChI=1S/C24H35N3O8S/c28-21-18(11-12-25-21)14-20(23(30)36(32,33)34)26-22(29)19(13-16-7-3-1-4-8-16)27-24(31)35-15-17-9-5-2-6-10-17/h2,5-6,9-10,16,18-20,23,30H,1,3-4,7-8,11-15H2,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t18-,19?,20?,23?/m0/s1
Definition date:	2014-12-18
Last modified:	2024-09-27
Release date:	2015-03-25
Identifier:	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

SMZ

SMZ
Name:	N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine
Formula:	C7 H15 N3 O2 S
SMILES:	O=C(O)C(N)CCCNC(=[N@H])SC
InChi:	InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1
Synonyms:	S-methyl-L-thiocitrulline
Definition date:	2008-01-15
Last modified:	2024-09-27
Identifier:	N~5~-[(Z)-imino(methylsulfanyl)methyl]-L-ornithine

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