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QLG

QLG
Name:	[(4Z)-2-[(1Z)-4-AMINO-4-OXOBUTANIMIDOYL]-4-(2-METHYLPROPYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C13 H18 N4 O4
SMILES:	O=C(N)CCC(=[N@H])C1=N/C(C(=O)N1CC(=O)O)=C/C(C)C
InChi:	InChI=1S/C13H18N4O4/c1-7(2)5-9-13(21)17(6-11(19)20)12(16-9)8(14)3-4-10(15)18/h5,7,14H,3-4,6H2,1-2H3,(H2,15,18)(H,19,20)/b9-5+,14-8-
Synonyms:	CHROMOPHORE (GLN-LEU-GLY)
Definition date:	2006-09-14
Last modified:	2024-09-27
Identifier:	[(4E)-2-[(1Z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

LNK

LNK
Name:	PENTANE
Formula:	C5 H12
SMILES:	CCCCC
InChi:	InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
Definition date:	2001-05-15
Last modified:	2024-09-27
Identifier:	pentane

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

Q68

Q68
Name:	~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide
Formula:	C18 H33 N5 O4
SMILES:	CCCCCCN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1Cn2cc(CNC(C)=O)nn2
InChi:	InChI=1S/C18H33N5O4/c1-3-4-5-6-7-19-15-8-16(25)18(27)17(26)14(15)11-23-10-13(21-22-23)9-20-12(2)24/h10,14-19,25-27H,3-9,11H2,1-2H3,(H,20,24)/t14-,15-,16-,17+,18+/m0/s1
Definition date:	2020-05-21
Last modified:	2024-09-27
Release date:	2021-06-30
Identifier:	~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide

QZ7

QZ7
Name:	N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C20 H33 F2 N3 O5
SMILES:	C1(F)(CCC(CC1)OC(=O)NC(CC(C)C)C(NC(CC2C(=O)NCC2)CO)=O)F
InChi:	InChI=1S/C20H33F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h12-16,26H,3-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13-,14-,16-/m0/s1
Definition date:	2020-01-15
Last modified:	2024-09-27
Release date:	2020-08-12
Identifier:	N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

RCY

RCY
Name:	(3'R)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione
Formula:	C12 H19 N2 O3
SMILES:	ON2C(CC(N1C(=O)CCC1=O)C2(C)C)(C)C
InChi:	InChI=1S/C12H20N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h8,17H,5-7H2,1-4H3/t8-/m1/s1
Synonyms:	3-Maleimido-PROXYL (bound form)
Definition date:	2007-10-05
Last modified:	2024-09-27
Identifier:	(3'R)-1'-hydroxy-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione

Q69

Q69
Name:	N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
Formula:	C10 H12 Cl N O2
SMILES:	Clc1cc(ccc1)C(NC(C)=O)CO
InChi:	InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1
Definition date:	2023-08-18
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide

OXP

OXP
Name:	2-OXO-3-PENTENOIC ACID
Formula:	C5 H6 O3
SMILES:	O=C(C=C/C)C(=O)O
InChi:	InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3H,1H3,(H,7,8)/b3-2-
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3Z)-2-oxopent-3-enoic acid

QZA

QZA
Name:	(2R,3S)-3-amino-1-chlorobutan-2-ol
Formula:	C4 H10 Cl N O
SMILES:	NC(C)C(CCl)O
InChi:	InChI=1S/C4H10ClNO/c1-3(6)4(7)2-5/h3-4,7H,2,6H2,1H3/t3-,4-/m0/s1
Synonyms:	(3S)-3-amino-1-chlorobutan-2-one, bound form
Definition date:	2020-01-16
Last modified:	2024-09-27
Release date:	2020-09-16
Identifier:	(2R,3S)-3-amino-1-chlorobutan-2-ol

QZD

QZD
Name:	N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C20 H35 N3 O7
SMILES:	C(C(NC(C(CC(C)C)NC(OC1(COCOC1)CC)=O)=O)CO)C2C(=O)NCC2
InChi:	InChI=1S/C20H35N3O7/c1-4-20(10-28-12-29-11-20)30-19(27)23-16(7-13(2)3)18(26)22-15(9-24)8-14-5-6-21-17(14)25/h13-16,24H,4-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1
Definition date:	2020-01-17
Last modified:	2024-09-27
Release date:	2020-08-12
Identifier:	N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

PDM

PDM
Name:	4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
Formula:	C14 H16 N2 O5
SMILES:	O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O
InChi:	InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1
Synonyms:	PARA-PHENYL DIMALEMIDE
Definition date:	2002-02-06
Last modified:	2024-09-27
Identifier:	(4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid

L9C

L9C
Name:	2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide
Formula:	C23 H22 Cl2 N2 O3 S
SMILES:	O=C(CCl)N(C(c1cccs1)C(=O)NCCc1ccccc1)c1ccc(OC)c(Cl)c1
InChi:	InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)/t22-/m0/s1
Definition date:	2022-03-01
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide

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

PDO

PDO
Name:	1,3-PROPANDIOL
Formula:	C3 H8 O2
SMILES:	OCCCO
InChi:	InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	propane-1,3-diol

NBF

NBF
Name:	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID
Formula:	C14 H16 B N O4
SMILES:	O=C(c1c2c(ccc1OCC)cccc2)NCB(O)O
InChi:	InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17)
Definition date:	2003-02-24
Last modified:	2024-09-27
Identifier:	({[(2-ethoxynaphthalen-1-yl)carbonyl]amino}methyl)boronic acid

QZG

QZG
Name:	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide
Formula:	C23 H41 N3 O5
SMILES:	C(=O)(NC(CC(C)C)C(NC(CC1C(=O)NCC1)CO)=O)OC2CCC(CC2)C(C)C
InChi:	InChI=1S/C23H41N3O5/c1-14(2)11-20(22(29)25-18(13-27)12-17-9-10-24-21(17)28)26-23(30)31-19-7-5-16(6-8-19)15(3)4/h14-20,27H,5-13H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t16-,17-,18-,19-,20-/m0/s1
Definition date:	2020-01-17
Last modified:	2024-09-27
Release date:	2020-08-12
Identifier:	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide

OXU

OXU
Name:	2-bromanylethanamine
Formula:	C2 H6 Br N
SMILES:	NCCBr
InChi:	InChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2
Definition date:	2023-08-22
Last modified:	2024-09-27
Release date:	2023-09-27
Identifier:	2-bromanylethanamine

LNR

LNR
Name:	L-NOREPINEPHRINE
Formula:	C8 H11 N O3
SMILES:	Oc1ccc(cc1O)C(O)CN
InChi:	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
Synonyms:	NORADRENALINE
Definition date:	2001-03-28
Last modified:	2024-09-27
Identifier:	4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

5L7

5L7
Name:	2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol
Formula:	C19 H21 N3 O2
SMILES:	c1(cccc(c1C)O)OCc2cccnc2c3n(ncc3)C(C)C
InChi:	InChI=1S/C19H21N3O2/c1-13(2)22-16(9-11-21-22)19-15(6-5-10-20-19)12-24-18-8-4-7-17(23)14(18)3/h4-11,13,23H,12H2,1-3H3
Definition date:	2015-10-16
Last modified:	2024-09-27
Release date:	2016-07-20
Identifier:	2-methyl-3-({2-[1-(propan-2-yl)-1H-pyrazol-5-yl]pyridin-3-yl}methoxy)phenol

PDP

PDP
Name:	PYRIDOXAL-5'-DIPHOSPHATE
Formula:	C8 H11 N O9 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCc1cnc(c(O)c1C=O)C
InChi:	InChI=1S/C8H11NO9P2/c1-5-8(11)7(3-10)6(2-9-5)4-17-20(15,16)18-19(12,13)14/h2-3,11H,4H2,1H3,(H,15,16)(H2,12,13,14)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl trihydrogen diphosphate

MX1

MX1
Name:	(2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID
Formula:	C18 H18 N2 O10
SMILES:	O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C(=O)O)C2N=C(C(=C)CO2)C(=O)O
InChi:	InChI=1S/C18H18N2O10/c1-8-7-30-16(19-12(8)15(25)26)18(29-2,17(27)28)20-13(22)11(14(23)24)9-3-5-10(21)6-4-9/h3-6,11,16,21H,1,7H2,2H3,(H,20,22)(H,23,24)(H,25,26)(H,27,28)/t11-,16-,18-/m1/s1
Synonyms:	MOXALACTAM (HYDROLYZED)
Definition date:	2005-09-06
Last modified:	2024-09-27
Identifier:	(2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid

NBG

NBG
Name:	N-acetyl-beta-D-glucopyranosylamine
Formula:	C8 H15 N O6
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	1-N-ACETYL-BETA-D-GLUCOSAMINE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-acetyl-beta-D-glucopyranosylamine

MX3

MX3
Name:	(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID
Formula:	C14 H19 N3 O4
SMILES:	O=C(O)CN(N)C(=O)CCC(=O)N(Cc1ccccc1)C
InChi:	InChI=1S/C14H19N3O4/c1-16(9-11-5-3-2-4-6-11)12(18)7-8-13(19)17(15)10-14(20)21/h2-6H,7-10,15H2,1H3,(H,20,21)
Synonyms:	AZA-ASPARTATE-N-BENZYL-N-METHYL-ACRYLAMIDE
Definition date:	2005-09-29
Last modified:	2024-09-27
Identifier:	(1-{4-[benzyl(methyl)amino]-4-oxobutanoyl}hydrazino)acetic acid

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

LNT

LNT
Name:	N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine
Formula:	C10 H22 N2 O5
SMILES:	O=C(O)C(NC(O)(O)C(N)CC(C)C)C(O)C
InChi:	InChI=1S/C10H22N2O5/c1-5(2)4-7(11)10(16,17)12-8(6(3)13)9(14)15/h5-8,12-13,16-17H,4,11H2,1-3H3,(H,14,15)/t6-,7+,8+/m1/s1
Definition date:	2007-11-07
Last modified:	2024-09-27
Identifier:	N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine

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