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T3V

T3V
Name:	1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Formula:	C12 H15 F N2 O3 S
SMILES:	N2(CCN(S(c1ccccc1F)(=O)=O)CC2)C(=O)C
InChi:	InChI=1S/C12H15FN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-5-3-2-4-11(12)13/h2-5H,6-9H2,1H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one

WFP

WFP
Name:	3,5-difluoro-L-phenylalanine
Formula:	C9 H9 F2 N O2
SMILES:	N[CH](Cc1cc(F)cc(F)c1)C(O)=O
InChi:	InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
Definition date:	2009-12-13
Last modified:	2024-09-27
Identifier:	(2S)-2-azanyl-3-(3,5-difluorophenyl)propanoic acid

XTJ

XTJ
Name:	(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate
Formula:	C21 H28 F N3 O5
SMILES:	C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2cccc(c2)F)=O)CCN3
InChi:	InChI=1S/C21H28FN3O5/c22-16-3-1-2-14(8-16)12-30-21(29)25-18(9-13-4-5-13)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h1-3,8,13,15,17-18,26H,4-7,9-12H2,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1
Definition date:	2021-01-12
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate

UPQ

UPQ
Name:	4-(4-methylimidazol-1-yl)benzaldehyde
Formula:	C11 H10 N2 O
SMILES:	Cc1cn(cn1)c2ccc(C=O)cc2
InChi:	InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3
Definition date:	2021-03-04
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	4-(4-methylimidazol-1-yl)benzaldehyde

TIH

TIH
Name:	BETA(2-THIENYL)ALANINE
Formula:	C7 H9 N O2 S
SMILES:	O=C(O)C(N)Cc1sccc1
InChi:	InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-thiophen-2-yl-L-alanine

VKC

VKC
Name:	(2-hydroxyethoxy)acetic acid
Formula:	C4 H8 O4
SMILES:	[O-]C(=O)COCCO
InChi:	InChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)/p-1
Definition date:	2013-10-29
Last modified:	2024-09-27
Release date:	2014-01-22
Identifier:	(2-hydroxyethoxy)acetate

XD1

XD1
Name:	(2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C8 H14 N2 O3 S
SMILES:	O=C(O)C1NC(SC1(C)C)C(N)C=O
InChi:	InChI=1S/C8H14N2O3S/c1-8(2)5(7(12)13)10-6(14-8)4(9)3-11/h3-6,10H,9H2,1-2H3,(H,12,13)/t4-,5+,6-/m1/s1
Synonyms:	6-aminopenicillian, bound form
Definition date:	2010-06-08
Last modified:	2024-09-27
Identifier:	(2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

V4F

V4F
Name:	8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid
Formula:	C12 H13 N2 O6 P
SMILES:	NCc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O
InChi:	InChI=1S/C12H13N2O6P/c13-5-7-2-1-3-8-10(20-6-21(17,18)19)4-9(12(15)16)14-11(7)8/h1-4H,5-6,13H2,(H,15,16)(H2,17,18,19)
Definition date:	2023-02-21
Last modified:	2024-09-27
Release date:	2023-07-19
Identifier:	8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic acid

XD2

XD2
Name:	(2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C18 H20 N6 O5 S2
SMILES:	O=CC(NC(=O)C(O)c1ccccc1)C2SCC(=C(N2)C(=O)O)CSc3nnnn3C
InChi:	InChI=1S/C18H20N6O5S2/c1-24-18(21-22-23-24)31-9-11-8-30-16(20-13(11)17(28)29)12(7-25)19-15(27)14(26)10-5-3-2-4-6-10/h2-7,12,14,16,20,26H,8-9H2,1H3,(H,19,27)(H,28,29)/t12-,14-,16-/m1/s1
Synonyms:	Cefamandole, bound form
Definition date:	2010-06-09
Last modified:	2024-09-27
Identifier:	(2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

V4H

V4H
Name:	4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde
Formula:	C13 H15 N O3
SMILES:	O[CH]1CCCN(C1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H15NO3/c15-9-10-3-5-11(6-4-10)13(17)14-7-1-2-12(16)8-14/h3-6,9,12,16H,1-2,7-8H2/t12-/m1/s1
Definition date:	2021-04-12
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde

IWW

IWW
Name:	[(E)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid
Formula:	C14 H12 B2 Cl2 O4
SMILES:	c1(cc(c(cc1)C=Cc2ccc(cc2Cl)B(O)O)Cl)B(O)O
InChi:	InChI=1S/C14H12B2Cl2O4/c17-13-7-11(15(19)20)5-3-9(13)1-2-10-4-6-12(16(21)22)8-14(10)18/h1-8,19-22H/b2-1+
Definition date:	2016-12-07
Last modified:	2024-09-27
Release date:	2017-09-27
Identifier:	[(E)-ethene-1,2-diylbis(3-chloro-4,1-phenylene)]diboronic acid

XTM

XTM
Name:	N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C21 H30 F N3 O5
SMILES:	C2(=O)C(CC(NC(C(CC(C)C)NC(OCc1cccc(F)c1)=O)=O)CO)CCN2
InChi:	InChI=1S/C21H30FN3O5/c1-13(2)8-18(25-21(29)30-12-14-4-3-5-16(22)9-14)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h3-5,9,13,15,17-18,26H,6-8,10-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1
Definition date:	2021-01-13
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

ZV4

ZV4
Name:	(2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid
Formula:	C9 H12 N O5 P
SMILES:	N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
Synonyms:	phosphophenylalanine
Definition date:	2023-04-06
Last modified:	2024-09-27
Release date:	2023-04-19
Identifier:	(2~{S})-2-azanyl-3-(4-phosphonophenyl)propanoic acid

XTP

XTP
Name:	benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
Formula:	C21 H29 N3 O5
SMILES:	C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2ccccc2)=O)CCN3
InChi:	InChI=1S/C21H29N3O5/c25-12-17(11-16-8-9-22-19(16)26)23-20(27)18(10-14-6-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-5,14,16-18,25H,6-13H2,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
Definition date:	2021-01-13
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate

SAR

SAR
Name:	SARCOSINE
Formula:	C3 H7 N O2
SMILES:	O=C(O)CNC
InChi:	InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-methylglycine

YAZ

YAZ
Name:	(2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid
Formula:	C9 H7 Cl O3
SMILES:	C(=O)(O)C=Cc1cc(Cl)c(cc1)O
InChi:	InChI=1S/C9H7ClO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,(H,12,13)/b4-2+
Definition date:	2018-09-19
Last modified:	2024-09-27
Release date:	2019-05-29
Identifier:	(2E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoic acid

V4K

V4K
Name:	4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde
Formula:	C15 H19 N O3
SMILES:	OCCC1CCN(CC1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C15H19NO3/c17-10-7-12-5-8-16(9-6-12)15(19)14-3-1-13(11-18)2-4-14/h1-4,11-12,17H,5-10H2
Definition date:	2021-04-12
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde

ZV7

ZV7
Name:	2-chloro-N-(3-oxopropyl)acetohydrazide
Formula:	C5 H9 Cl N2 O2
SMILES:	ClCC(=O)N(N)CCC=O
InChi:	InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2
Definition date:	2023-04-06
Last modified:	2024-09-27
Release date:	2024-04-03
Identifier:	2-chloro-N-(3-oxopropyl)acetohydrazide

VKH

VKH
Name:	(1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
Formula:	C7 H16 N O4
SMILES:	[NH3+][CH]1C[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C7H15NO4/c8-4-1-5(10)7(12)6(11)3(4)2-9/h3-7,9-12H,1-2,8H2/p+1/t3-,4-,5+,6+,7+/m0/s1
Definition date:	2021-05-25
Last modified:	2024-09-27
Release date:	2022-02-02
Identifier:	[(1~{S},2~{R},3~{R},4~{R},5~{R})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]azanium

ZDC

ZDC
Name:	3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
Formula:	C8 H14 O6
SMILES:	O=C(O)CC1OC(C(O)C(O)C1O)C
InChi:	InChI=1S/C8H14O6/c1-3-6(11)8(13)7(12)4(14-3)2-5(9)10/h3-4,6-8,11-13H,2H2,1H3,(H,9,10)/t3-,4-,6+,7+,8+/m0/s1
Definition date:	2012-12-17
Last modified:	2024-09-27
Release date:	2016-02-10
Identifier:	3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid

T43

T43
Name:	2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide
Formula:	C30 H35 F4 N5 O4 S2
SMILES:	FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=S)NC(CC1CCNC1=O)C(=O)c1nc3c(F)cccc3s1)C2(C)C)C(C)(C)C
InChi:	InChI=1S/C30H35F4N5O4S2/c1-28(2,3)22(38-27(43)30(32,33)34)26(42)39-12-14-18(29(14,4)5)20(39)24(44)36-16(11-13-9-10-35-23(13)41)21(40)25-37-19-15(31)7-6-8-17(19)45-25/h6-8,13-14,16,18,20,22H,9-12H2,1-5H3,(H,35,41)(H,36,44)(H,38,43)/t13-,14-,16-,18-,20-,22+/m0/s1
Definition date:	2022-07-18
Last modified:	2024-09-27
Release date:	2022-08-24
Identifier:	2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide

SQ3

SQ3
Name:	(1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C23 H29 Cl2 N3 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COc1ccc(Cl)cc1Cl
InChi:	InChI=1S/C23H29Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,12,14-15,19-20,29H,5-7,9-11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20-/m0/s1
Definition date:	2023-08-28
Last modified:	2024-09-27
Release date:	2024-08-28
Identifier:	(1R,2S,5S)-3-[(2,4-dichlorophenoxy)acetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

TIS

TIS
Name:	O-(1,1-dihydroxyethyl)-L-serine
Formula:	C5 H11 N O5
SMILES:	O=C(O)C(N)COC(O)(O)C
InChi:	InChI=1S/C5H11NO5/c1-5(9,10)11-2-3(6)4(7)8/h3,9-10H,2,6H2,1H3,(H,7,8)/t3-/m0/s1
Definition date:	2009-01-28
Last modified:	2024-09-27
Identifier:	O-(1,1-dihydroxyethyl)-L-serine

TXH

TXH
Name:	~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate
Formula:	C17 H22 N4 O4
SMILES:	CC(C)(C)OC(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)NNC=O
InChi:	InChI=1S/C17H22N4O4/c1-17(2,3)25-16(24)20-14(15(23)21-19-10-22)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,14,18H,8H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)/t14-/m0/s1
Definition date:	2023-01-13
Last modified:	2024-09-27
Release date:	2023-01-25
Identifier:	~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate

T44

T44
Name:	3,5,3',5'-TETRAIODO-L-THYRONINE
Formula:	C15 H11 I4 N O4
SMILES:	O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2
InChi:	InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine

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