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UXQ

UXQ
Name:	(2S)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
Formula:	C12 H15 Cl N2 O3
SMILES:	N[CH](Cc1ccc(CNC(=O)CCl)cc1)C(O)=O
InChi:	InChI=1S/C12H15ClN2O3/c13-6-11(16)15-7-9-3-1-8(2-4-9)5-10(14)12(17)18/h1-4,10H,5-7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1
Definition date:	2021-03-26
Last modified:	2024-09-27
Release date:	2021-10-13
Identifier:	(2~{S})-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid

L8F

L8F
Name:	N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
Formula:	C19 H26 N4 O2
SMILES:	CC(=O)NCCc1c[NH]c2c(CN3CCN(CC3)C(C)=O)cccc21
InChi:	InChI=1S/C19H26N4O2/c1-14(24)20-7-6-16-12-21-19-17(4-3-5-18(16)19)13-22-8-10-23(11-9-22)15(2)25/h3-5,12,21H,6-11,13H2,1-2H3,(H,20,24)
Definition date:	2023-08-15
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide

NAI

NAI
Name:	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Formula:	C21 H29 N7 O14 P2
SMILES:	NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	NADH
Definition date:	1999-12-13
Last modified:	2024-09-27
Identifier:	[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate

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

RC7

RC7
Name:	2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C17 H14 N4 O4
SMILES:	OC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3
InChi:	InChI=1S/C17H14N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-8,10,22H,9H2,(H,18,19)(H,23,24)/b6-3+,14-7-
Synonyms:	RED CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2007-03-23
Last modified:	2024-09-27
Identifier:	2-[(4~{Z})-4-[(4-hydroxyphenyl)methylidene]-2-[(~{E})-2-(1~{H}-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

TSQ

TSQ
Name:	4-(trimethylsilyl)-L-phenylalanine
Formula:	C12 H19 N O2 Si
SMILES:	c1cc(CC(C(O)=O)N)ccc1[Si](C)(C)C
InChi:	InChI=1S/C12H19NO2Si/c1-16(2,3)10-6-4-9(5-7-10)8-11(13)12(14)15/h4-7,11H,8,13H2,1-3H3,(H,14,15)/t11-/m0/s1
Definition date:	2019-02-04
Last modified:	2024-09-27
Release date:	2020-09-09
Identifier:	4-(trimethylsilyl)-L-phenylalanine

UXS

UXS
Name:	(2S)-2-amino-4-(methylsulfanyl)butan-1-ol
Formula:	C5 H13 N O S
SMILES:	C(C(N)CCSC)O
InChi:	InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
Definition date:	2020-06-04
Last modified:	2024-09-27
Release date:	2020-06-17
Identifier:	(2S)-2-amino-4-(methylsulfanyl)butan-1-ol

QYG

QYG
Name:	{(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C16 H18 N4 O5
SMILES:	C(=O)(O)CN1C(C(CCC(N)=O)N)=NC(C1=O)=Cc2ccc(O)cc2
InChi:	InChI=1S/C16H18N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,11,21H,5-6,8,17H2,(H2,18,22)(H,23,24)/b12-7+/t11-/m0/s1
Definition date:	2019-01-16
Last modified:	2024-09-27
Release date:	2019-11-06
Identifier:	{(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

TSR

TSR
Name:	2-(1H-INDOL-3-YL)ACETAMIDE
Formula:	C10 H10 N2 O
SMILES:	O=C(N)Cc2c1ccccc1nc2
InChi:	InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
Definition date:	2005-08-09
Last modified:	2024-09-27
Identifier:	2-(1H-indol-3-yl)acetamide

NAK

NAK
Name:	AMINO-ACRYLATE
Formula:	C3 H5 N O2
SMILES:	[O-]C(=O)C(=[NH2+])C
InChi:	InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)
Synonyms:	2-IMINIOPROPANOATE
Definition date:	2004-08-30
Last modified:	2024-09-27
Identifier:	2-iminiopropanoate

TSS

TSS
Name:	2-(1H-INDOL-3-YL)ETHANAMINE
Formula:	C10 H12 N2
SMILES:	c1cccc2c1c(cn2)CCN
InChi:	InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
Synonyms:	TRYPTAMINE
Definition date:	2005-08-08
Last modified:	2024-09-27
Identifier:	2-(1H-indol-3-yl)ethanamine

NAL

NAL
Name:	BETA-(2-NAPHTHYL)-ALANINE
Formula:	C13 H13 N O2
SMILES:	O=C(O)C(N)Cc2ccc1c(cccc1)c2
InChi:	InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name)

QKV

QKV
Name:	(6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol
Formula:	C13 H16 Br N O3
SMILES:	Brc2ccc1OC3(OCc1c2)CCN(CO)CC3
InChi:	InChI=1S/C13H16BrNO3/c14-11-1-2-12-10(7-11)8-17-13(18-12)3-5-15(9-16)6-4-13/h1-2,7,16H,3-6,8-9H2
Definition date:	2011-02-02
Last modified:	2024-09-27
Identifier:	(6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol

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

UXY

UXY
Name:	(4R)-4-hydroxy-L-lysine
Formula:	C6 H14 N2 O3
SMILES:	NC(C(O)=O)CC(CCN)O
InChi:	InChI=1S/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
Definition date:	2020-06-04
Last modified:	2024-09-27
Release date:	2020-10-07
Identifier:	(4R)-4-hydroxy-L-lysine

LN1

LN1
Name:	(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
Formula:	C22 H22 N2 O9 S
SMILES:	O=C(OCC(S(=O)O)(C)C(C(=O)O)Nc2c(cc1ccccn12)C=O)Cc3ccc(O)c(O)c3
InChi:	InChI=1S/C22H22N2O9S/c1-22(34(31)32,12-33-18(28)9-13-5-6-16(26)17(27)8-13)19(21(29)30)23-20-14(11-25)10-15-4-2-3-7-24(15)20/h2-8,10-11,19,23,26-27H,9,12H2,1H3,(H,29,30)(H,31,32)/t19-,22-/m0/s1
Definition date:	2008-05-15
Last modified:	2024-09-27
Identifier:	(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine

TSY

TSY
Name:	(2S)-2-amino-3-trisulfanylpropanoic acid
Formula:	C3 H7 N O2 S3
SMILES:	O=C(O)C(N)CSSS
InChi:	InChI=1S/C3H7NO2S3/c4-2(3(5)6)1-8-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Definition date:	2013-04-24
Last modified:	2024-09-27
Release date:	2013-11-27
Identifier:	3-trisulfanyl-L-alanine

Q5O

Q5O
Name:	~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
Formula:	C23 H17 Cl F4 N2 O3
SMILES:	Cc1cc(OC(F)F)ccc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)cc3
InChi:	InChI=1S/C23H17ClF4N2O3/c1-12-8-15(33-23(27)28)6-7-20(12)30-22(32)16-9-17(19(26)10-18(16)24)21(31)29-11-13-2-4-14(25)5-3-13/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32)
Definition date:	2022-10-14
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide

L8O

L8O
Name:	1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Formula:	C18 H19 N O
SMILES:	Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O
InChi:	InChI=1S/C18H19NO/c1-13-6-5-8-15(10-13)18-12-19(14(2)20)11-16-7-3-4-9-17(16)18/h3-10,18H,11-12H2,1-2H3/t18-/m1/s1
Definition date:	2023-08-15
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one

QL0

QL0
Name:	3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H13 N O2 S
SMILES:	CN(CCS)C(=O)c1cccc(C=O)c1
InChi:	InChI=1S/C11H13NO2S/c1-12(5-6-15)11(14)10-4-2-3-9(7-10)8-13/h2-4,7-8,15H,5-6H2,1H3
Definition date:	2022-11-08
Last modified:	2024-09-27
Release date:	2023-03-29
Identifier:	3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

OX6

OX6
Name:	TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
Formula:	C11 H19 N3 O3
SMILES:	O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
InChi:	InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m1/s1
Definition date:	2007-05-22
Last modified:	2024-09-27
Identifier:	tert-butyl [(1R)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate

LN5

LN5
Name:	N5-(1-iminopropyl)-L-ornithine
Formula:	C8 H17 N3 O2
SMILES:	O=C(O)C(N)CCCNC(=[N@H])CC
InChi:	InChI=1S/C8H17N3O2/c1-2-7(10)11-5-3-4-6(9)8(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)/t6-/m0/s1
Synonyms:	(2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid
Definition date:	2009-07-07
Last modified:	2024-09-27
Identifier:	N~5~-[(1Z)-propanimidoyl]-L-ornithine

QL2

QL2
Name:	6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile
Formula:	C14 H10 F2 N6
SMILES:	Fc1cc(cc(F)c1)Nc3nc(nc2c3ncn2CC)C#N
InChi:	InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
Definition date:	2009-06-26
Last modified:	2024-09-27
Identifier:	6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile

OX7

OX7
Name:	TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
Formula:	C11 H19 N3 O3
SMILES:	O=C(OC(C)(C)C)NC(c1nnco1)C(C)C
InChi:	InChI=1S/C11H19N3O3/c1-7(2)8(9-14-12-6-16-9)13-10(15)17-11(3,4)5/h6-8H,1-5H3,(H,13,15)/t8-/m0/s1
Definition date:	2007-05-22
Last modified:	2024-09-27
Identifier:	tert-butyl [(1S)-2-methyl-1-(1,3,4-oxadiazol-2-yl)propyl]carbamate

RQT

RQT
Name:	~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide
Formula:	C16 H15 N3 O
SMILES:	CCC(=O)Nc1cccc(c1)c2c[nH]c3ncccc23
InChi:	InChI=1S/C16H15N3O/c1-2-15(20)19-12-6-3-5-11(9-12)14-10-18-16-13(14)7-4-8-17-16/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
Definition date:	2020-10-20
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide

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