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1MH

1MH
Name:	3-pyridin-3-yl-L-alanine
Formula:	C8 H10 N2 O2
SMILES:	O=C(O)C(N)Cc1cccnc1
InChi:	InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
Definition date:	2013-03-28
Last modified:	2024-09-27
Release date:	2013-06-12
Identifier:	3-pyridin-3-yl-L-alanine

FY3

FY3
Name:	2,3,5-trifluoro-L-tyrosine
Formula:	C9 H8 F3 N O3
SMILES:	NC(C(=O)O)Cc1cc(F)c(c(c1F)F)O
InChi:	InChI=1S/C9H8F3NO3/c10-4-1-3(2-5(13)9(15)16)6(11)7(12)8(4)14/h1,5,14H,2,13H2,(H,15,16)/t5-/m0/s1
Definition date:	2015-07-13
Last modified:	2024-09-27
Release date:	2016-07-13
Identifier:	2,3,5-trifluoro-L-tyrosine

TDD

TDD
Name:	(2R)-2-amino-3,3-dimethyl-butanoic acid
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)(C)C
InChi:	InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1
Synonyms:	D-tert-leucine
Definition date:	2008-06-02
Last modified:	2024-09-27
Identifier:	3-methyl-D-valine

TDF

TDF
Name:	4-(trifluoromethyl)-D-phenylalanine
Formula:	C10 H10 F3 N O2
SMILES:	FC(F)(F)c1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
Definition date:	2011-09-15
Last modified:	2024-09-27
Identifier:	4-(trifluoromethyl)-D-phenylalanine

1N0

1N0
Name:	1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione
Formula:	C14 H20 N2 O4
SMILES:	O=C1N(C(=O)CC1)CCCCCCN2C(=O)CCC2=O
InChi:	InChI=1S/C14H20N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h1-10H2
Synonyms:	bis(maleimido)hexane, bound form
Definition date:	2013-04-02
Last modified:	2024-09-27
Release date:	2013-06-19
Identifier:	1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione

TDJ

TDJ
Name:	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
Formula:	C22 H13 N2 O6 Ru S
SMILES:	C/%12SC(C(C(=O)O)NC(=O)CCC(C9%10C8C7C%11[Ru]6432789(C1C5C4C3C12)C%10%11)=O)N=C(C%12=C)C(=O)O
InChi:	InChI=1S/C17H17N2O6S.C5H5.Ru/c1-9-8-26-15(19-13(9)16(22)23)14(17(24)25)18-12(21)7-6-11(20)10-4-2-3-5-10
Definition date:	2020-03-19
Last modified:	2024-09-27
Release date:	2020-04-01
Identifier:	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium

FYU

FYU
Name:	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
Formula:	C5 H4 N2 O3
SMILES:	N1C(NC(C(=C1)C=O)=O)=O
InChi:	InChI=1S/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)
Synonyms:	5-formyluracil
Definition date:	2015-06-22
Last modified:	2024-09-27
Release date:	2015-10-21
Identifier:	2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde

1NB

1NB
Name:	2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL
Formula:	C10 H16 O2
SMILES:	O=CC(C/C=C)C1CCCC1O
InChi:	InChI=1S/C10H16O2/c1-2-4-8(7-11)9-5-3-6-10(9)12/h2,7-10,12H,1,3-6H2/t8-,9+,10-/m0/s1
Synonyms:	GR143783
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2-[(1R,2S)-2-hydroxycyclopentyl]pent-4-enal

FZI

FZI
Name:	(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid
Formula:	C23 H38 N4 O10 S
SMILES:	CC(C)(C)OC(=O)N1CC(COC(=O)NC(CC(C)C)C(=O)NC(CC2C=CNC2=O)C(O)S(=O)(=O)O)C1
InChi:	InChI=1S/C23H38N4O10S/c1-13(2)8-16(26-21(31)36-12-14-10-27(11-14)22(32)37-23(3,4)5)19(29)25-17(20(30)38(33,34)35)9-15-6-7-24-18(15)28/h6-7,13-17,20,30H,8-12H2,1-5H3,(H,24,28)(H,25,29)(H,26,31)(H,33,34,35)/t15-,16-,17-,20?/m0/s1
Definition date:	2021-12-15
Last modified:	2024-09-27
Release date:	2021-12-22
Identifier:	(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid

TEB

TEB
Name:	(4R,5S)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1H-pyrrole-2-carboxylic acid
Formula:	C16 H23 N3 O4 S2
SMILES:	O=C(O)C=3NC(C(C=O)C(O)C)C(C=3SC2CN(C1=NCCS1)C2)C
InChi:	InChI=1S/C16H23N3O4S2/c1-8-12(11(7-20)9(2)21)18-13(15(22)23)14(8)25-10-5-19(6-10)16-17-3-4-24-16/h7-12,18,21H,3-6H2,1-2H3,(H,22,23)/t8-,9-,11-,12-/m1/s1
Synonyms:	Tebipenem (open form)
Definition date:	2007-11-04
Last modified:	2024-09-27
Identifier:	(4R,5S)-3-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid

TEE

TEE
Name:	2-AMINO-ETHENETHIOL
Formula:	C2 H5 N S
SMILES:	S/C=CN
InChi:	InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1-
Synonyms:	2-THIOETHENAMINE
Definition date:	2002-10-04
Last modified:	2024-09-27
Identifier:	(Z)-2-aminoethenethiol

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:	2024-09-27
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)

FZP

FZP
Name:	(4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate
Formula:	C25 H24 F N7 O3
SMILES:	c1(ccn(n1)C)Nc4nc(N(C(=O)OCc2ccc(F)cc2)c3cccc(c3)NC(CC)=O)ccn4
InChi:	InChI=1S/C25H24FN7O3/c1-3-23(34)28-19-5-4-6-20(15-19)33(25(35)36-16-17-7-9-18(26)10-8-17)22-11-13-27-24(30-22)29-21-12-14-32(2)31-21/h4-15H,3,16H2,1-2H3,(H,28,34)(H,27,29,30,31)
Definition date:	2018-05-01
Last modified:	2024-09-27
Release date:	2018-07-18
Identifier:	(4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate

TEM

TEM
Name:	N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE
Formula:	C7 H11 N O3
SMILES:	O=CC=CNCC(O)CC=O
InChi:	InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-5,7-8,11H,2,6H2/b3-1+/t7-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3R)-3-hydroxy-4-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanal

G03

G03
Name:	methyl (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate
Formula:	C14 H23 N2 O7 P S
SMILES:	COC(=O)[CH](CCSC)NCc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:	InChI=1S/C14H23N2O7PS/c1-9-13(17)11(10(6-15-9)8-23-24(19,20)21)7-16-12(4-5-25-3)14(18)22-2/h6,12,16-17H,4-5,7-8H2,1-3H3,(H2,19,20,21)/t12-/m0/s1
Definition date:	2020-07-14
Last modified:	2024-09-27
Release date:	2021-01-27
Identifier:	methyl (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate

1OG

1OG
Name:	7-alkylidenecephalosporin DCM-1-10, bound form
Formula:	C16 H21 N O9 S
SMILES:	O=S1(=O)C(C(=O)OC(C)(C)C)C(C=NC(=C(C1)COC(=O)C)C(=O)O)C=O
InChi:	InChI=1S/C16H21NO9S/c1-9(19)25-7-11-8-27(23,24)13(15(22)26-16(2,3)4)10(6-18)5-17-12(11)14(20)21/h5-6,10,13H,7-8H2,1-4H3,(H,20,21)/b12-11-,17-5-/t10-,13+/m0/s1
Synonyms:	(3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide
Definition date:	2013-04-11
Last modified:	2024-09-27
Release date:	2013-12-04
Identifier:	(3Z,5Z,7S,8R)-3-[(acetyloxy)methyl]-8-(tert-butoxycarbonyl)-7-formyl-7,8-dihydro-2H-1,5-thiazocine-4-carboxylic acid 1,1-dioxide

1OL

1OL
Name:	(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
Formula:	C10 H21 N O3
SMILES:	O=C(O)C(C)CC(O)C(N)CC(C)C
InChi:	InChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
Synonyms:	Leu*Ala
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid

G0F

G0F
Name:	[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C12 H21 N2 O5 P S
SMILES:	CSCCCNCc1c(O)c(C)ncc1CO[P](O)(O)=O
InChi:	InChI=1S/C12H21N2O5PS/c1-9-12(15)11(7-13-4-3-5-21-2)10(6-14-9)8-19-20(16,17)18/h6,13,15H,3-5,7-8H2,1-2H3,(H2,16,17,18)
Definition date:	2020-07-14
Last modified:	2024-09-27
Release date:	2021-01-27
Identifier:	[6-methyl-4-[(3-methylsulfanylpropylamino)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

1OP

1OP
Name:	O-(5-hydroxypentyl)-L-tyrosine
Formula:	C14 H21 N O4
SMILES:	O=C(O)C(N)Cc1ccc(OCCCCCO)cc1
InChi:	InChI=1S/C14H21NO4/c15-13(14(17)18)10-11-4-6-12(7-5-11)19-9-3-1-2-8-16/h4-7,13,16H,1-3,8-10,15H2,(H,17,18)/t13-/m0/s1
Definition date:	2013-04-11
Last modified:	2024-09-27
Release date:	2013-06-12
Identifier:	O-(5-hydroxypentyl)-L-tyrosine

TFA

TFA
Name:	trifluoroacetic acid
Formula:	C2 H F3 O2
SMILES:	FC(F)(F)C(=O)O
InChi:	InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	trifluoroacetic acid

TFC

TFC
Name:	1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE
Formula:	C11 H19 F3 O S
SMILES:	FC(F)(F)C(=O)CSCCCCCCCC
InChi:	InChI=1S/C11H19F3OS/c1-2-3-4-5-6-7-8-16-9-10(15)11(12,13)14/h2-9H2,1H3
Definition date:	2006-01-24
Last modified:	2024-09-27
Identifier:	1,1,1-trifluoro-3-(octylsulfanyl)propan-2-one

G0R

G0R
Name:	N-(4-carbamimidamidobutyl)ethanamide
Formula:	C7 H16 N4 O
SMILES:	CC(=O)NCCCCNC(N)=N
InChi:	InChI=1S/C7H16N4O/c1-6(12)10-4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11)
Definition date:	2020-07-14
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	~{N}-(4-carbamimidamidobutyl)ethanamide

TFI

TFI
Name:	2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE
Formula:	C19 H22 F3 N5 O5 S
SMILES:	FC(F)(F)C(=O)C(NC(=O)CN2C(=O)C(=CN=C2c1ccc(N)cc1)NS(=O)(=O)C)C(C)C
InChi:	InChI=1S/C19H22F3N5O5S/c1-10(2)15(16(29)19(20,21)22)25-14(28)9-27-17(11-4-6-12(23)7-5-11)24-8-13(18(27)30)26-33(3,31)32/h4-8,10,15,26H,9,23H2,1-3H3,(H,25,28)/t15-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-[2-(4-aminophenyl)-5-[(methylsulfonyl)amino]-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide

TFK

TFK
Name:	3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE
Formula:	C20 H23 F3 N4 O5 S
SMILES:	O=C(NC(C(=O)C(F)(F)F)C(C)C)CN1C(=CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2
InChi:	InChI=1S/C20H23F3N4O5S/c1-12(2)17(18(29)20(21,22)23)25-16(28)11-27-15(13-7-5-4-6-8-13)10-9-14(19(27)30)26-33(31,32)24-3/h4-10,12,17,24,26H,11H2,1-3H3,(H,25,28)/t17-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-{3-[(methylsulfamoyl)amino]-2-oxo-6-phenylpyridin-1(2H)-yl}-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]acetamide

TFR

TFR
Name:	(2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid
Formula:	C11 H19 F3 N2 O4
SMILES:	FC(F)(F)C(O)C(NC(=O)CCCCC(C(=O)O)N)C
InChi:	InChI=1S/C11H19F3N2O4/c1-6(9(18)11(12,13)14)16-8(17)5-3-2-4-7(15)10(19)20/h6-7,9,18H,2-5,15H2,1H3,(H,16,17)(H,19,20)/t6-,7-,9+/m1/s1
Definition date:	2012-11-23
Last modified:	2024-09-27
Release date:	2013-03-27
Identifier:	(2R)-2-amino-7-oxo-7-{[(2R,3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]amino}heptanoic acid

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