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PKH

PKH
Name:	~{N}-[(1~{R},2~{R},4~{S},7~{E})-7-[azanyl(sulfanyl)methylidene]-7$l^{4}-azabicyclo[2.2.1]heptan-2-yl]-2-chloranyl-4-(6-cyclopropylpyrazin-2-yl)benzamide
Formula:	C21 H23 Cl N5 O S
SMILES:	N/C(S)=[N+]1/C2CC(NC(=O)c3ccc(cc3Cl)c3cncc(n3)C3CC3)C1CC2
InChi:	InChI=1S/C21H22ClN5OS/c22-15-7-12(18-10-24-9-17(25-18)11-1-2-11)3-5-14(15)20(28)26-16-8-13-4-6-19(16)27(13)21(23)29/h3,5,7,9-11,13,16,19H,1-2,4,6,8H2,(H3,23,26,28,29)/p+1/t13-,16+,19+/m0/s1
Definition date:	2022-05-26
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	(1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(4M)-2-chloro-4-(6-cyclopropylpyrazin-2-yl)benzene-1-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium

MAZ

MAZ
Name:	FORMIC ACID 3-AMINO-BENZYL ESTER
Formula:	C8 H9 N O3
SMILES:	O=COCc1cc(N)ccc1
InChi:	InChI=1S/C8H9NO3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5,9H2,(H,10,11)
Synonyms:	META-AMINO BENZYLOCARBONYL
Definition date:	2001-09-21
Last modified:	2024-09-27
Identifier:	3-aminobenzyl formate

L4R

L4R
Name:	Fmoc-(R)-2-(7-octenyl)alanine
Formula:	C11 H21 N O2
SMILES:	C[C](N)(CCCCCCC=C)C(O)=O
InChi:	InChI=1S/C11H21NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h3H,1,4-9,12H2,2H3,(H,13,14)/t11-/m1/s1
Definition date:	2022-06-16
Last modified:	2024-09-27
Release date:	2022-07-20
Identifier:	(2~{R})-2-azanyl-2-methyl-dec-9-enoic acid

MPL

MPL
Name:	N-METHYL-PYRIDOXAL-5'-PHOSPHATE
Formula:	C9 H13 N O6 P
SMILES:	O=P(O)(O)OCc1c[n+](c(c(O)c1C=O)C)C
InChi:	InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-formyl-3-hydroxy-1,2-dimethyl-5-[(phosphonooxy)methyl]pyridinium

P7T

P7T
Name:	4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde
Formula:	C13 H17 N O4 S
SMILES:	C[CH]1CN(C[CH](C)O1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H17NO4S/c1-10-7-14(8-11(2)18-10)19(16,17)13-5-3-12(9-15)4-6-13/h3-6,9-11H,7-8H2,1-2H3/t10-,11+
Definition date:	2020-04-16
Last modified:	2024-09-27
Release date:	2020-09-23
Identifier:	4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde

P7U

P7U
Name:	{(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile
Formula:	C35 H37 Cl F N7 O5
SMILES:	CC(O)C(O)(O)C(=O)N1CCN(CC1CC#N)c1nc(nc2c(F)c(ncc21)c1cccc2cccc(Cl)c21)OCC12CCCN2CCC1
InChi:	InChI=1S/C35H37ClFN7O5/c1-21(45)35(47,48)32(46)44-17-16-42(19-23(44)10-13-38)31-25-18-39-29(24-8-2-6-22-7-3-9-26(36)27(22)24)28(37)30(25)40-33(41-31)49-20-34-11-4-14-43(34)15-5-12-34/h2-3,6-9,18,21,23,45,47-48H,4-5,10-12,14-17,19-20H2,1H3/t21-,23-/m0/s1
Definition date:	2022-05-25
Last modified:	2024-09-27
Release date:	2022-08-31
Identifier:	{(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile

QEW

QEW
Name:	1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea
Formula:	C20 H16 N4 O3 S
SMILES:	COc1cc2ccncc2cc1c3ccc4nc(NC(=O)NCC=O)sc4c3
InChi:	InChI=1S/C20H16N4O3S/c1-27-17-9-12-4-5-21-11-14(12)8-15(17)13-2-3-16-18(10-13)28-20(23-16)24-19(26)22-6-7-25/h2-5,7-11H,6H2,1H3,(H2,22,23,24,26)
Definition date:	2022-10-26
Last modified:	2024-09-27
Release date:	2023-03-01
Identifier:	1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea

KA8

KA8
Name:	(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
Formula:	C21 H23 F N4 O
SMILES:	NC[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[CH]3C[CH](F)CN3
InChi:	InChI=1S/C21H23FN4O/c22-18-10-20(25-13-18)21(27)26-19(12-24)9-14-1-5-16(6-2-14)17-7-3-15(11-23)4-8-17/h1-8,18-20,25H,9-10,12-13,24H2,(H,26,27)/t18-,19-,20-/m0/s1
Definition date:	2019-05-08
Last modified:	2024-09-27
Release date:	2019-08-28
Identifier:	(2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

MPQ

MPQ
Name:	N-METHYL-ALPHA-PHENYL-GLYCINE
Formula:	C9 H11 N O2
SMILES:	O=C(O)C(NC)c1ccccc1
InChi:	InChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)/t8-/m0/s1
Synonyms:	METHYLAMINO-PHENYL-ACETIC ACID
Definition date:	1999-10-15
Last modified:	2024-09-27
Identifier:	(2S)-(methylamino)(phenyl)ethanoic acid

SUH

SUH
Name:	(2S)-2-methylbutanedioic acid
Formula:	C5 H8 O4
SMILES:	O=C(O)CC(C(=O)O)C
InChi:	InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
Definition date:	2014-07-28
Last modified:	2024-09-27
Release date:	2014-08-20
Identifier:	(2S)-2-methylbutanedioic acid

WIG

WIG
Name:	6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-[(4-fluorophenyl)methyl]-5-methyl-1,2,3-benzotriazin-4-one
Formula:	C21 H18 F N5 O3
SMILES:	Cn1nc(C)c(c1O)C(=O)c2ccc3N=NN(Cc4ccc(F)cc4)C(=O)c3c2C
InChi:	InChI=1S/C21H18FN5O3/c1-11-15(19(28)18-12(2)24-26(3)20(18)29)8-9-16-17(11)21(30)27(25-23-16)10-13-4-6-14(22)7-5-13/h4-9,29H,10H2,1-3H3
Definition date:	2023-10-04
Last modified:	2024-09-27
Release date:	2024-10-02
Identifier:	6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-3-[(4-fluorophenyl)methyl]-5-methyl-1,2,3-benzotriazin-4-one

SUI

SUI
Name:	(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
Formula:	C6 H8 N2 O4
SMILES:	O=C1N(C(=O)CC1N)CC(=O)O
InChi:	InChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)/t3-/m0/s1
Definition date:	2001-08-20
Last modified:	2024-09-27
Identifier:	[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]acetic acid

LWI

LWI
Name:	2-(aminomethyl)-L-phenylalanine
Formula:	C10 H14 N2 O2
SMILES:	NC(Cc1ccccc1CN)C(O)=O
InChi:	InChI=1S/C10H14N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1
Definition date:	2020-06-09
Last modified:	2024-09-27
Release date:	2021-03-31
Identifier:	2-(aminomethyl)-L-phenylalanine

QF0

QF0
Name:	(3S)-3-amino-4-(naphthalen-2-yl)butanoic acid
Formula:	C14 H15 N O2
SMILES:	O=C(O)CC(N)Cc1ccc2ccccc2c1
InChi:	InChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1
Definition date:	2022-06-07
Last modified:	2024-09-27
Release date:	2023-06-14
Identifier:	(3S)-3-amino-4-(naphthalen-2-yl)butanoic acid

TNQ

TNQ
Name:	6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan
Formula:	C13 H15 N3 O5
SMILES:	NC(C(=O)O)Cc1cnc2c1ccc(c2O)NCC(=O)O
InChi:	InChI=1S/C13H15N3O5/c14-8(13(20)21)3-6-4-16-11-7(6)1-2-9(12(11)19)15-5-10(17)18/h1-2,4,8,15-16,19H,3,5,14H2,(H,17,18)(H,20,21)/t8-/m0/s1
Definition date:	2018-08-16
Last modified:	2024-09-27
Release date:	2019-01-16
Identifier:	6-[(carboxymethyl)amino]-7-hydroxy-L-tryptophan

MPR

MPR
Name:	2-MERCAPTO-PROPION ALDEHYDE
Formula:	C3 H6 O S
SMILES:	O=CCCS
InChi:	InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-sulfanylpropanal

SUJ

SUJ
Name:	(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
Formula:	C9 H16 N2 O5
SMILES:	O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C
InChi:	InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1
Definition date:	2003-07-31
Last modified:	2024-09-27
Identifier:	(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid

KAC

KAC
Name:	4-(benzoylamino)butanoic acid
Formula:	C11 H13 N O3
SMILES:	O=C(NCCCC(=O)O)c1ccccc1
InChi:	InChI=1S/C11H13NO3/c13-10(14)7-4-8-12-11(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,15)(H,13,14)
Definition date:	2014-10-07
Last modified:	2024-09-27
Release date:	2014-12-03
Identifier:	4-(benzoylamino)butanoic acid

MPT

MPT
Name:	BETA-MERCAPTOPROPIONIC ACID
Formula:	C3 H6 O2 S
SMILES:	O=C(O)CCS
InChi:	InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
Definition date:	2001-01-26
Last modified:	2024-09-27
Identifier:	3-sulfanylpropanoic acid

VMX

VMX
Name:	5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine
Formula:	C13 H21 N7 O5 S
SMILES:	NCCC[S](=O)(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C13H21N7O5S/c14-2-1-3-26(23,24)19-4-7-9(21)10(22)13(25-7)20-6-18-8-11(15)16-5-17-12(8)20/h5-7,9-10,13,19,21-22H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
Definition date:	2009-12-30
Last modified:	2024-09-27
Identifier:	N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-3-azanyl-propane-1-sulfonamide

MB8

MB8
Name:	(2Z)-2-methylbut-2-enoic acid
Formula:	C5 H8 O2
SMILES:	O=C(O)C(=C/C)C
InChi:	InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
Definition date:	2012-09-21
Last modified:	2024-09-27
Release date:	2014-05-07
Identifier:	(2Z)-2-methylbut-2-enoic acid

SUN

SUN
Name:	O-[(R)-(DIMETHYLAMINO)(ETHOXY)PHOSPHORYL]-L-SERINE
Formula:	C7 H17 N2 O5 P
SMILES:	O=P(OCC)(OCC(N)C(=O)O)N(C)C
InChi:	InChI=1S/C7H17N2O5P/c1-4-13-15(12,9(2)3)14-5-6(8)7(10)11/h6H,4-5,8H2,1-3H3,(H,10,11)/t6-,15+/m0/s1
Synonyms:	TABUN CONJUGATED SERINE
Definition date:	2007-01-25
Last modified:	2024-09-27
Identifier:	O-[(R)-(dimethylamino)(ethoxy)phosphoryl]-L-serine

OSE

OSE
Name:	O-SULFO-L-SERINE
Formula:	C3 H7 N O6 S
SMILES:	O=S(=O)(O)OCC(C(=O)O)N
InChi:	InChI=1S/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
Definition date:	2005-02-24
Last modified:	2024-09-27
Identifier:	O-sulfo-L-serine

N5U

N5U
Name:	1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
Formula:	C12 H19 N3 O
SMILES:	CCC(=O)N1CCCC[CH]1c2cncn2C
InChi:	InChI=1S/C12H19N3O/c1-3-12(16)15-7-5-4-6-10(15)11-8-13-9-14(11)2/h8-10H,3-7H2,1-2H3/t10-/m1/s1
Definition date:	2022-08-12
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one

KAH

KAH
Name:	5-AMINO-4-HYDROXYHEXANOIC ACID
Formula:	C6 H13 N O3
SMILES:	O=C(O)CCC(O)C(N)C
InChi:	InChI=1S/C6H13NO3/c1-4(7)5(8)2-3-6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m1/s1
Synonyms:	4-KETO-5-AMINO-HEXANOIC ACID
Definition date:	2001-07-09
Last modified:	2024-09-27
Identifier:	(4R,5R)-5-amino-4-hydroxyhexanoic acid

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