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SLZ

SLZ
Name:	L-THIALYSINE
Formula:	C5 H12 N2 O2 S
SMILES:	O=C(O)C(N)CSCCN
InChi:	InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	S-(2-aminoethyl)-L-cysteine

MHU

MHU
Name:	4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE
Formula:	C12 H18 N2 O2
SMILES:	O=C(O)C(NC)Cc1ccc(N(C)C)cc1
InChi:	InChI=1S/C12H18N2O2/c1-13-11(12(15)16)8-9-4-6-10(7-5-9)14(2)3/h4-7,11,13H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
Definition date:	2010-07-15
Last modified:	2024-09-27
Identifier:	4-(dimethylamino)-N-methyl-L-phenylalanine

NPB

NPB
Name:	3-NITROPHENYLBORONIC ACID
Formula:	C6 H6 B N O4
SMILES:	[O-][N+](=O)c1cc(B(O)O)ccc1
InChi:	InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
Definition date:	2001-11-19
Last modified:	2024-09-27
Identifier:	(3-nitrophenyl)boronic acid

ZOY

ZOY
Name:	N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
Formula:	C21 H35 N3 O2
SMILES:	NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1
InChi:	InChI=1S/C21H35N3O2/c22-19(21(23)26)15-11-17-24-20(25)16-10-5-3-1-2-4-7-12-18-13-8-6-9-14-18/h6,8-9,13-14,19H,1-5,7,10-12,15-17,22H2,(H2,23,26)(H,24,25)/t19-/m0/s1
Definition date:	2021-05-18
Last modified:	2024-09-27
Release date:	2022-03-30
Identifier:	N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide

KH0

KH0
Name:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C31 H41 N5 O7
SMILES:	CC(C)(C)OC(=O)NC1=CC=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)NCc4ccccc4)C1=O
InChi:	InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25-/m0/s1
Synonyms:	(S,S,S)-13b
Definition date:	2023-08-14
Last modified:	2024-09-27
Release date:	2023-08-23
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate

MHV

MHV
Name:	4-OXO-L-PIPECOLIC ACID
Formula:	C6 H9 N O3
SMILES:	O=C(O)C1NCCC(=O)C1
InChi:	InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1
Definition date:	2010-07-15
Last modified:	2024-09-27
Identifier:	(2S)-4-oxopiperidine-2-carboxylic acid

VES

VES
Name:	Pyrrolidine
Formula:	C4 H9 N
SMILES:	N1CCCC1
InChi:	InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
Definition date:	2013-04-23
Last modified:	2024-09-27
Release date:	2013-05-01
Identifier:	pyrrolidine

U88

U88
Name:	5-nitro-1,3-thiazole
Formula:	C3 H2 N2 O2 S
SMILES:	O=[N](=O)c1scnc1
InChi:	InChI=1S/C3H2N2O2S/c6-5(7)3-1-4-2-8-3/h1-2H
Synonyms:	halicin
Definition date:	2021-01-28
Last modified:	2024-09-27
Release date:	2021-03-03
Identifier:	5-nitro-1,3-thiazole

OJU

OJU
Name:	2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium
Formula:	C18 H33 Cl N5 O12 P2
SMILES:	C[N+](C)(CCCNC(=O)CCl)CCO[P](O)(=O)O[P](O)(=O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N
InChi:	InChI=1S/C18H32ClN5O12P2/c1-24(2,7-3-5-21-14(25)10-19)8-9-33-37(29,30)36-38(31,32)34-11-12-15(26)16(27)17(35-12)23-6-4-13(20)22-18(23)28/h4,6,12,15-17,26-27H,3,5,7-11H2,1-2H3,(H4-,20,21,22,25,28,29,30,31,32)/p+1
Synonyms:	Cytidine-diphosphate with a thiol-reactive chloroacetamide (cross-linker)
Definition date:	2022-09-13
Last modified:	2024-09-27
Release date:	2023-04-12
Identifier:	2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium

XW1

XW1
Name:	(2S)-2-amino-7-ethoxy-7-oxoheptanoic acid
Formula:	C9 H17 N O4
SMILES:	O=C(OCC)CCCCC(C(=O)O)N
InChi:	InChI=1S/C9H17NO4/c1-2-14-8(11)6-4-3-5-7(10)9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1
Definition date:	2011-06-14
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-7-ethoxy-7-oxoheptanoic acid

SM2

SM2
Name:	(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID
Formula:	C14 H14 B N O5 S
SMILES:	O=C(NC(B(O)O)c1cc(C(=O)O)ccc1)Cc2sccc2
InChi:	InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1
Definition date:	2002-10-23
Last modified:	2024-09-27
Identifier:	3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}benzoic acid

WOC

WOC
Name:	2,2-dimethylbutanedioic acid
Formula:	C6 H10 O4
SMILES:	O=C(O)C(C)(C)CC(=O)O
InChi:	InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
Definition date:	2014-07-25
Last modified:	2024-09-27
Release date:	2014-08-20
Identifier:	2,2-dimethylbutanedioic acid

PRV

PRV
Name:	(2R)-amino(2-nitrophenyl)ethanoic acid
Formula:	C8 H8 N2 O4
SMILES:	[O-][N+](=O)c1ccccc1C(N)C(=O)O
InChi:	InChI=1S/C8H8N2O4/c9-7(8(11)12)5-3-1-2-4-6(5)10(13)14/h1-4,7H,9H2,(H,11,12)/t7-/m1/s1
Synonyms:	2-(NITRO)PHENYLGLYCINE
Definition date:	2010-02-02
Last modified:	2024-09-27
Identifier:	(2R)-amino(2-nitrophenyl)ethanoic acid

MHW

MHW
Name:	3-HYDROXYPICOLINIC ACID
Formula:	C6 H5 N O3
SMILES:	O=C(O)c1ncccc1O
InChi:	InChI=1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
Definition date:	2010-07-15
Last modified:	2024-09-27
Identifier:	3-hydroxypyridine-2-carboxylic acid

VET

VET
Name:	[(1R,2S,4R)-2-HYDROXY-4-[(5R)-5-HYDROXY-5-METHYL-2,4-DIOXO-IMIDAZOLIDIN-1-YL]CYCLOPENTYL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C10 H17 N2 O8 P
SMILES:	C[C]1(O)N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2)C(=O)NC1=O
InChi:	InChI=1S/C10H17N2O8P/c1-10(16)8(14)11-9(15)12(10)6-2-5(7(13)3-6)4-20-21(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6-,7+,10-/m1/s1
Definition date:	2010-11-25
Last modified:	2024-09-27
Identifier:	[(1R,2S,4R)-2-hydroxy-4-[(5R)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl dihydrogen phosphate

SM3

SM3
Name:	(1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID
Formula:	C13 H14 B N O3 S
SMILES:	O=C(NC(B(O)O)c1ccccc1)Cc2sccc2
InChi:	InChI=1S/C13H14BNO3S/c16-12(9-11-7-4-8-19-11)15-13(14(17)18)10-5-2-1-3-6-10/h1-8,13,17-18H,9H2,(H,15,16)/t13-/m0/s1
Definition date:	2002-10-23
Last modified:	2024-09-27
Identifier:	{(R)-phenyl[(thiophen-2-ylacetyl)amino]methyl}boronic acid

YMS

YMS
Name:	(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
Formula:	C26 H39 N3 O8 S
SMILES:	CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25+/m0/s1
Definition date:	2021-03-12
Last modified:	2024-09-27
Release date:	2021-03-24
Identifier:	(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

PRW

PRW
Name:	(2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOIC ACID
Formula:	C4 H9 N O4
SMILES:	O=C(O)C(O)C(O)CN
InChi:	InChI=1S/C4H9NO4/c5-1-2(6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3-/m1/s1
Definition date:	2010-02-02
Last modified:	2024-09-27
Identifier:	(2R,3R)-4-amino-2,3-dihydroxybutanoic acid

Z
Name:	1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE
Formula:	C9 H13 N2 O7 P
SMILES:	O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1
Synonyms:	2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE
Definition date:	2002-09-09
Last modified:	2024-09-27
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one

VEV

VEV
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C21 H27 N3 O2
SMILES:	N(C)C(=O)C(c1cnccc1)N(c2ccc(cc2)C(C)(C)C)C(CC)=O
InChi:	InChI=1S/C21H27N3O2/c1-6-18(25)24(17-11-9-16(10-12-17)21(2,3)4)19(20(26)22-5)15-8-7-13-23-14-15/h7-14,19H,6H2,1-5H3,(H,22,26)/t19-/m1/s1
Definition date:	2020-08-05
Last modified:	2024-09-27
Release date:	2020-12-02
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

MHY

MHY
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H15 F2 N3 O5
SMILES:	NC(C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(F)c(c(c2)F)O)C(O)C
InChi:	InChI=1S/C15H15F2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6,12,21,24H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
Definition date:	2019-04-02
Last modified:	2024-09-27
Release date:	2020-04-08
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

SM4

SM4
Name:	(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
Formula:	C16 H16 B N O5 S
SMILES:	O=C(NC(B(O)O)c1cccc(C=CC(=O)O)c1)Cc2sccc2
InChi:	InChI=1S/C16H16BNO5S/c19-14(10-13-5-2-8-24-13)18-16(17(22)23)12-4-1-3-11(9-12)6-7-15(20)21/h1-9,16,22-23H,10H2,(H,18,19)(H,20,21)/b7-6+/t16-/m0/s1
Synonyms:	(2E)-3-(3-{(R)-(DIHYDROXYBORYL)[(2-THIENYLACETYL)AMINO]METHYL}PHENYL)ACRYLIC ACID
Definition date:	2006-09-06
Last modified:	2024-09-27
Identifier:	(2E)-3-(3-{(R)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}phenyl)prop-2-enoic acid

Z3V

Z3V
Name:	2-(ethylamino)ethane-1-thiol
Formula:	C4 H11 N S
SMILES:	CCNCCS
InChi:	InChI=1S/C4H11NS/c1-2-5-3-4-6/h5-6H,2-4H2,1H3
Definition date:	2021-04-08
Last modified:	2024-09-27
Release date:	2021-11-24
Identifier:	2-(ethylamino)ethane-1-thiol

4FO

4FO
Name:	(2R)-2,4-diaminobutanoic acid
Formula:	C4 H10 N2 O2
SMILES:	NC(CCN)C(=O)O
InChi:	InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m1/s1
Definition date:	2015-08-03
Last modified:	2024-09-27
Release date:	2016-09-21
Identifier:	(2R)-2,4-diaminobutanoic acid

KH4

KH4
Name:	S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1H-imidazole-4-carbothioate
Formula:	C15 H25 N4 O8 P S
SMILES:	O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ncnc1
InChi:	InChI=1S/C15H25N4O8PS/c1-15(2,8-27-28(24,25)26)12(21)13(22)18-4-3-11(20)17-5-6-29-14(23)10-7-16-9-19-10/h7,9,12,21H,3-6,8H2,1-2H3,(H,16,19)(H,17,20)(H,18,22)(H2,24,25,26)/t12-/m0/s1
Definition date:	2014-04-03
Last modified:	2024-09-27
Release date:	2014-07-23
Identifier:	S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1H-imidazole-4-carbothioate

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