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OYL

OYL
Name:	1-ethyl-L-histidine
Formula:	C8 H13 N3 O2
SMILES:	O=C(O)C(N)Cc1ncn(c1)CC
InChi:	InChI=1S/C8H13N3O2/c1-2-11-4-6(10-5-11)3-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m0/s1
Definition date:	2014-02-28
Last modified:	2024-09-27
Release date:	2014-06-25
Identifier:	1-ethyl-L-histidine

PEE

PEE
Name:	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
Formula:	C41 H78 N O8 P
SMILES:	NCCOP(O)(=O)OCC(COC(=O)CCCCCCC/C=CCCCCCCCC)OC(=O)CCCCCCC/C=CCCCCCCCC
InChi:	InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1
Synonyms:	DOPE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (9Z)-octadec-9-enoate

MXT

MXT
Name:	1-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)PYRROLIDINE-2,5-DIONE
Formula:	C13 H22 N2 O3
SMILES:	O=C1N(C(=O)CC1)C2CC(N(O)C(C)(C)C2)(C)C
InChi:	InChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3
Definition date:	2007-08-21
Last modified:	2024-09-27
Identifier:	1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione

LOH

LOH
Name:	3,4-dihydroxylysine
Formula:	C6 H14 N2 O4
SMILES:	NCC[CH](O)[CH](O)[CH](N)C(O)=O
InChi:	InChI=1S/C6H14N2O4/c7-2-1-3(9)5(10)4(8)6(11)12/h3-5,9-10H,1-2,7-8H2,(H,11,12)/t3-,4-,5+/m0/s1
Definition date:	2017-09-08
Last modified:	2024-09-27
Release date:	2018-06-27
Identifier:	(2~{S},3~{S},4~{S})-2,6-bis(azanyl)-3,4-bis(oxidanyl)hexanoic acid

W9N

W9N
Name:	1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one
Formula:	C31 H33 N7 O2
SMILES:	Cn1cnc2cc(ccc12)Oc1ccc(cc1C)c1nn(c2ncnc(C)c21)C1CC2CCC(C1)N2C(=O)CC
InChi:	InChI=1S/C31H33N7O2/c1-5-28(39)37-21-7-8-22(37)14-23(13-21)38-31-29(19(3)32-16-33-31)30(35-38)20-6-11-27(18(2)12-20)40-24-9-10-26-25(15-24)34-17-36(26)4/h6,9-12,15-17,21-23H,5,7-8,13-14H2,1-4H3/t21-,22+,23+
Definition date:	2023-09-27
Last modified:	2024-09-27
Release date:	2024-06-12
Identifier:	1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one

MXU

MXU
Name:	~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C24 H35 N5 O7
SMILES:	CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O
InChi:	InChI=1S/C24H35N5O7/c1-24(2,3)36-23(35)28-15-5-4-10-29(22(15)34)17(11-13-6-7-13)21(33)27-16(18(30)19(25)31)12-14-8-9-26-20(14)32/h4-5,10,13-14,16-18,30H,6-9,11-12H2,1-3H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,35)/t14-,16-,17-,18+/m0/s1
Definition date:	2022-08-09
Last modified:	2024-09-27
Release date:	2023-08-16
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

PEG

PEG
Name:	DI(HYDROXYETHYL)ETHER
Formula:	C4 H10 O3
SMILES:	OCCOCCO
InChi:	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2,2'-oxydiethanol

UZM

UZM
Name:	(3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide
Formula:	C14 H18 Cl2 N2 O3 S
SMILES:	c1c(cc(c(c1)C(CC(NO)=O)CC(=O)NCCCS)Cl)Cl
InChi:	InChI=1S/C14H18Cl2N2O3S/c15-10-2-3-11(12(16)8-10)9(7-14(20)18-21)6-13(19)17-4-1-5-22/h2-3,8-9,21-22H,1,4-7H2,(H,17,19)(H,18,20)/t9-/m0/s1
Definition date:	2020-06-09
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	(3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide

Q78

Q78
Name:	L-3-Thienylalanine
Formula:	C7 H9 N O2 S
SMILES:	N[CH](Cc1cscc1)C(O)=O
InChi:	InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1
Synonyms:	(2S)-2-azanyl-3-thiophen-3-yl-propanoic acid
Definition date:	2020-05-26
Last modified:	2024-09-27
Release date:	2021-04-28
Identifier:	(2~{S})-2-azanyl-3-thiophen-3-yl-propanoic acid

QMK

QMK
Name:	~{N}-[2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide
Formula:	C11 H19 N4 O8 P
SMILES:	CC(=O)NCCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C11H19N4O8P/c1-6(16)12-3-2-7-4-15(14-13-7)11-10(18)9(17)8(23-11)5-22-24(19,20)21/h4,8-11,17-18H,2-3,5H2,1H3,(H,12,16)(H2,19,20,21)/t8-,9-,10-,11-/m1/s1
Definition date:	2020-07-03
Last modified:	2024-09-27
Release date:	2021-04-14
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-(2-acetamidoethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

TGA

TGA
Name:	2-sulfanylethyl beta-D-galactopyranoside
Formula:	C8 H16 O6 S
SMILES:	OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1
Synonyms:	METHANETHIOSULFONYL-GALACTOSIDE
Definition date:	2011-01-19
Last modified:	2024-09-27
Identifier:	(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol

QML

QML
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C21 H17 Cl N2 O3
SMILES:	CCC(=O)N(c1cncc2ccccc21)C(=O)C1COc2ccc(Cl)cc21
InChi:	InChI=1S/C21H17ClN2O3/c1-2-20(25)24(18-11-23-10-13-5-3-4-6-15(13)18)21(26)17-12-27-19-8-7-14(22)9-16(17)19/h3-11,17H,2,12H2,1H3/t17-/m1/s1
Definition date:	2023-08-18
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide

QMM

QMM
Name:	N,N-dimethyl-L-glutamine
Formula:	C7 H14 N2 O3
SMILES:	O=C(N(C)C)CCC(N)C(=O)O
InChi:	InChI=1S/C7H14N2O3/c1-9(2)6(10)4-3-5(8)7(11)12/h5H,3-4,8H2,1-2H3,(H,11,12)/t5-/m0/s1
Definition date:	2010-07-06
Last modified:	2024-09-27
Identifier:	N,N-dimethyl-L-glutamine

R0B

R0B
Name:	(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C12 H19 N O5 S
SMILES:	CCCCC1=C(N[CH](S1)[CH]([CH](C)O)C(O)=O)C(O)=O
InChi:	InChI=1S/C12H19NO5S/c1-3-4-5-7-9(12(17)18)13-10(19-7)8(6(2)14)11(15)16/h6,8,10,13-14H,3-5H2,1-2H3,(H,15,16)(H,17,18)/t6-,8-,10-/m1/s1
Synonyms:	hydrolyzed faropenem (ring-open form)
Definition date:	2020-08-24
Last modified:	2024-09-27
Release date:	2021-02-24
Identifier:	(2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid

Q7C

Q7C
Name:	N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide
Formula:	C9 H16 N2 O4 S
SMILES:	O=S1(=O)CCC(C1)N(CCC(N)=O)C(C)=O
InChi:	InChI=1S/C9H16N2O4S/c1-7(12)11(4-2-9(10)13)8-3-5-16(14,15)6-8/h8H,2-6H2,1H3,(H2,10,13)/t8-/m0/s1
Definition date:	2023-08-18
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide

RE0

RE0
Name:	3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
Formula:	C11 H12 N2 O4
SMILES:	O=C(O)C(N)CC2(O)c1ccccc1NC2=O
InChi:	InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11+/m0/s1
Definition date:	2011-02-03
Last modified:	2024-09-27
Identifier:	3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine

PEL

PEL
Name:	2-PHENYL-ETHANOL
Formula:	C8 H10 O
SMILES:	OCCc1ccccc1
InChi:	InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Definition date:	2000-06-13
Last modified:	2024-09-27
Identifier:	2-phenylethanol

TUK

TUK
Name:	2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanal
Formula:	C18 H22 N4 O3 S
SMILES:	CSCC[CH](N)[CH]1N=C(Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O
InChi:	InChI=1S/C18H22N4O3S/c1-26-7-6-13(19)17-21-15(18(25)22(17)10-16(23)24)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,17,20H,6-8,10,19H2,1H3,(H,23,24)/t13-,17-/m0/s1
Definition date:	2021-01-13
Last modified:	2024-09-27
Release date:	2022-03-02
Identifier:	2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanoic acid

RE1

RE1
Name:	GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
Formula:	C11 H21 N3 O7 P
SMILES:	[O-]P(=O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH3+])C
InChi:	InChI=1S/C11H22N3O7P/c1-7(22(19,20)21)13-9(15)5-3-2-4-8(11(17)18)14-10(16)6-12/h7-8H,2-6,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)(H2,19,20,21)/p-1/t7-,8-/m0/s1
Definition date:	2002-10-15
Last modified:	2024-09-27
Identifier:	(2S)-2-[(ammonioacetyl)amino]-7-{[(1S)-1-(hydroxyphosphinato)ethyl]amino}-7-oxoheptanoate

MY0

MY0
Name:	(2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid
Formula:	C6 H10 N2 O6
SMILES:	O=C(N(N)CC(=O)O)CC(O)C(=O)O
InChi:	InChI=1S/C6H10N2O6/c7-8(2-5(11)12)4(10)1-3(9)6(13)14/h3,9H,1-2,7H2,(H,11,12)(H,13,14)/t3-/m0/s1
Definition date:	2010-11-08
Last modified:	2024-09-27
Identifier:	(2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid

OYU

OYU
Name:	~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate
Formula:	C7 H15 N O3
SMILES:	CC(C)(C)OC(=O)NCCO
InChi:	InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)
Definition date:	2022-09-28
Last modified:	2024-09-27
Release date:	2023-09-27
Identifier:	~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate

NCB

NCB
Name:	N-CARBAMOYL-ALANINE
Formula:	C4 H8 N2 O3
SMILES:	O=C(O)C(NC(=O)N)C
InChi:	InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m1/s1
Definition date:	1999-10-10
Last modified:	2024-09-27
Identifier:	N-carbamoyl-D-alanine

UZS

UZS
Name:	N-hydroxy-7-sulfanylheptanamide
Formula:	C7 H15 N O2 S
SMILES:	ONC(CCCCCCS)=O
InChi:	InChI=1S/C7H15NO2S/c9-7(8-10)5-3-1-2-4-6-11/h10-11H,1-6H2,(H,8,9)
Definition date:	2020-06-09
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	N-hydroxy-7-sulfanylheptanamide

R0E

R0E
Name:	ProM-17
Formula:	C14 H22 N2 O3
SMILES:	CC(C)C[CH]1C=C[CH]2CCN[CH]2C(=O)N1CC(O)=O
InChi:	InChI=1S/C14H22N2O3/c1-9(2)7-11-4-3-10-5-6-15-13(10)14(19)16(11)8-12(17)18/h3-4,9-11,13,15H,5-8H2,1-2H3,(H,17,18)/t10-,11-,13-/m0/s1
Synonyms:	2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid
Definition date:	2020-08-25
Last modified:	2024-09-27
Release date:	2020-10-07
Identifier:	2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid

MY1

MY1
Name:	[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID
Formula:	C20 H23 N3 O5
SMILES:	O=C(O)CN(N)C(=O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1
Definition date:	2006-01-27
Last modified:	2024-09-27
Identifier:	{1-[(3S)-4-(dibenzylamino)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid

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