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NLG

NLG
Name:	N-ACETYL-L-GLUTAMATE
Formula:	C7 H11 N O5
SMILES:	O=C(NC(C(=O)O)CCC(=O)O)C
InChi:	InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
Definition date:	2001-12-28
Last modified:	2024-09-27
Identifier:	N-acetyl-L-glutamic acid

MDX

MDX
Name:	11-MERCAPTOUNDECANOIC ACID
Formula:	C11 H22 O2 S
SMILES:	O=C(O)CCCCCCCCCCS
InChi:	InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13)
Definition date:	2007-07-26
Last modified:	2024-09-27
Identifier:	11-sulfanylundecanoic acid

OFM

OFM
Name:	[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C24 H24 N4 O6
SMILES:	O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4
InChi:	InChI=1S/C24H24N4O6/c1-14-21(27-24(33,34-14)19(25)12-15-5-3-2-4-6-15)22-26-18(23(32)28(22)13-20(30)31)11-16-7-9-17(29)10-8-16/h2-11,14,19,29,33H,12-13,25H2,1H3,(H,30,31)/b18-11-/t14-,19+,24-/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2014-04-30
Last modified:	2024-09-27
Release date:	2014-07-08
Identifier:	[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

VAU

VAU
Name:	(1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid
Formula:	C8 H14 O6
SMILES:	C[C]1(O)C[C](O)(C[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C8H14O6/c1-7(13)3-8(14,6(11)12)2-4(9)5(7)10/h4-5,9-10,13-14H,2-3H2,1H3,(H,11,12)/t4-,5+,7-,8-/m1/s1
Definition date:	2015-03-30
Last modified:	2024-09-27
Release date:	2015-07-15
Identifier:	(1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid

4BP

4BP
Name:	4,4'-bis(bromomethyl)biphenyl
Formula:	C14 H12 Br2
SMILES:	BrCc2ccc(c1ccc(cc1)CBr)cc2
InChi:	InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
Definition date:	2012-09-28
Last modified:	2024-09-27
Release date:	2012-11-30
Identifier:	4,4'-bis(bromomethyl)biphenyl

KD7

KD7
Name:	N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide
Formula:	C33 H42 N8 O4 S2
SMILES:	C(=O)(CCc1ccccc1)NC(C(=O)NC(C(=O)NC(CCCNC(N)=N)C(c2sc3c(n2)cccc3)O)C(C)C)Cc4cscn4
InChi:	InChI=1S/C33H42N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28-29,43H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-,29-/m0/s1
Definition date:	2018-11-20
Last modified:	2024-09-27
Release date:	2019-10-02
Identifier:	N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide

UHS

UHS
Name:	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
Formula:	C21 H30 N4 O3
SMILES:	N(C(C)(C)C)C(=O)C(N(c1noc(C(C)(C)C)c1)C(=O)CC)c2cnccc2
InChi:	InChI=1S/C21H30N4O3/c1-8-17(26)25(16-12-15(28-24-16)20(2,3)4)18(14-10-9-11-22-13-14)19(27)23-21(5,6)7/h9-13,18H,8H2,1-7H3,(H,23,27)/t18-/m1/s1
Definition date:	2020-05-18
Last modified:	2024-09-27
Release date:	2020-05-27
Identifier:	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide

PO2

PO2
Name:	HYPOPHOSPHITE
Formula:	O2 P
SMILES:	[O-]P=O
InChi:	InChI=1S/HO2P/c1-3-2/h(H,1,2)/p-1
Definition date:	2001-05-14
Last modified:	2024-09-27

OFN

OFN
Name:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate
Formula:	C41 H72 N7 O18 P3 S
SMILES:	CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/t30-,34-,35-,36+,40-/m1/s1
Definition date:	2020-03-02
Last modified:	2024-09-27
Release date:	2020-05-13
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate

YWJ

YWJ
Name:	4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
Formula:	C25 H34 N4 O5
SMILES:	COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCNC1=O)C(C)=O
InChi:	InChI=1S/C25H34N4O5/c1-14(2)11-20(24(32)28-19(15(3)30)12-16-7-6-10-26-23(16)31)29-25(33)21-13-17-18(27-21)8-5-9-22(17)34-4/h5,8-9,13-14,16,19-20,27H,6-7,10-12H2,1-4H3,(H,26,31)(H,28,32)(H,29,33)/t16-,19-,20-/m0/s1
Definition date:	2021-04-01
Last modified:	2024-09-27
Release date:	2021-07-21
Identifier:	4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide

WKE

WKE
Name:	(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide
Formula:	C11 H20 N2 O7
SMILES:	C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO
InChi:	InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1
Definition date:	2023-05-17
Last modified:	2024-09-27
Release date:	2024-04-03
Identifier:	(2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide

NLJ

NLJ
Name:	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C12 H12 N2 O6 S2
SMILES:	c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2)OC)(=O)=O
InChi:	InChI=1S/C12H12N2O6S2/c1-20-12-11(3-2-8-13-12)14-21(15,16)9-4-6-10(7-5-9)22(17,18)19/h2-8,14H,1H3,(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid

VPF

VPF
Name:	N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide
Formula:	C22 H32 N3 O8 P
SMILES:	O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2
InChi:	InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18-,20-/m0/s1
Definition date:	2012-02-10
Last modified:	2024-09-27
Release date:	2013-01-18
Identifier:	N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide

PO3

PO3
Name:	PHOSPHITE ION
Formula:	O3 P
SMILES:	[O-][PH2-]([O-])=O
InChi:	InChI=1S/O3P/c1-4(2)3/q-3
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	dihydrido(dioxido)oxophosphate(1-)

SIA

SIA
Name:	N-acetyl-alpha-neuraminic acid
Formula:	C11 H19 N O9
SMILES:	O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChi:	InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1
Synonyms:	N-acetylneuraminic acid
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

Y5O

Y5O
Name:	2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide
Formula:	C13 H7 Cl N4 O3
SMILES:	N#Cc1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cn1
InChi:	InChI=1S/C13H7ClN4O3/c14-12-4-3-10(18(20)21)5-11(12)13(19)17-9-2-1-8(6-15)16-7-9/h1-5,7H,(H,17,19)
Definition date:	2023-01-05
Last modified:	2024-09-27
Release date:	2024-04-17
Identifier:	2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide

VAY

VAY
Name:	{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate
Formula:	C22 H24 Br N5 O7 S2
SMILES:	C1C(COS(=O)(N)=O)C(C(C1Nc2c(cncn2)C(c4cc(C(C)(c3cccc(n3)Br)O)cs4)=O)O)O
InChi:	InChI=1S/C22H24BrN5O7S2/c1-22(32,16-3-2-4-17(23)28-16)12-6-15(36-9-12)19(30)13-7-25-10-26-21(13)27-14-5-11(18(29)20(14)31)8-35-37(24,33)34/h2-4,6-7,9-11,14,18,20,29,31-32H,5,8H2,1H3,(H2,24,33,34)(H,25,26,27)/t11-,14-,18-,20+,22+/m1/s1
Definition date:	2020-07-22
Last modified:	2024-09-27
Release date:	2021-03-10
Identifier:	{(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate

ME0

ME0
Name:	hydroxy-L-methionine
Formula:	C5 H11 N O3 S
SMILES:	O=C(O)C(N)CCSCO
InChi:	InChI=1S/C5H11NO3S/c6-4(5(8)9)1-2-10-3-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1
Definition date:	2010-07-19
Last modified:	2024-09-27
Identifier:	hydroxy-L-methionine

SIC

SIC
Name:	(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid
Formula:	C7 H10 N2 O4 S
SMILES:	O=C1N(C(=O)CC1N)C(C(=O)O)CS
InChi:	InChI=1S/C7H10N2O4S/c8-3-1-5(10)9(6(3)11)4(2-14)7(12)13/h3-4,14H,1-2,8H2,(H,12,13)/t3-,4-/m0/s1
Definition date:	2008-06-24
Last modified:	2024-09-27
Identifier:	(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-sulfanylpropanoic acid

UHV

UHV
Name:	N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
Formula:	C25 H30 N4 O4
SMILES:	N(c1c(cc(cc1)OC)C)C(=O)C(c2cccnc2)N(c3noc(c3)C(C)(C)C)C(=O)CC
InChi:	InChI=1S/C25H30N4O4/c1-7-22(30)29(21-14-20(33-28-21)25(3,4)5)23(17-9-8-12-26-15-17)24(31)27-19-11-10-18(32-6)13-16(19)2/h8-15,23H,7H2,1-6H3,(H,27,31)/t23-/m1/s1
Definition date:	2020-05-18
Last modified:	2024-09-27
Release date:	2020-05-27
Identifier:	N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide

ZKO

ZKO
Name:	N-SUCCINYL-GLUTAMINE
Formula:	C9 H14 N2 O6
SMILES:	NC(=O)CC[CH](NC(=O)CCC(O)=O)C(O)=O
InChi:	InChI=1S/C9H14N2O6/c10-6(12)2-1-5(9(16)17)11-7(13)3-4-8(14)15/h5H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)(H,16,17)/t5-/m0/s1
Synonyms:	5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid
Definition date:	2024-01-22
Last modified:	2024-09-27
Release date:	2024-04-24
Identifier:	5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid

KS9

KS9
Name:	(phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate
Formula:	C15 H21 N O3
SMILES:	CC[CH](C)[CH](NC(=O)OCc1ccccc1)C(C)=O
InChi:	InChI=1S/C15H21NO3/c1-4-11(2)14(12(3)17)16-15(18)19-10-13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3,(H,16,18)/t11-,14-/m0/s1
Synonyms:	benzyl ((3S,4R)-1-chloro-4-methyl-2-oxohexan-3-yl)carb (reacted form of)
Definition date:	2022-06-07
Last modified:	2024-09-27
Release date:	2023-06-14
Identifier:	(phenylmethyl) ~{N}-[(3~{S},4~{S})-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate

NLM

NLM
Name:	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
Formula:	C11 H9 Cl N2 O5 S2
SMILES:	N(S(c1ccc(cc1)S(=O)(=O)O)(=O)=O)c2ncccc2Cl
InChi:	InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19)
Definition date:	2019-05-20
Last modified:	2024-09-27
Release date:	2020-03-04
Identifier:	4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid

A1D5E

A1D5E
Name:	(2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid
Formula:	C8 H15 N3 O4
SMILES:	NCCNC(=O)O[CH]1CN[CH](C1)C(O)=O
InChi:	InChI=1S/C8H15N3O4/c9-1-2-10-8(14)15-5-3-6(7(12)13)11-4-5/h5-6,11H,1-4,9H2,(H,10,14)(H,12,13)/t5-,6+/m1/s1
Synonyms:	4-((((2-AMINOETHYL)AMINO)CARBONYL)OXY)-L-PROLINE, (4R)-
Definition date:	2024-01-04
Last modified:	2024-09-27
Release date:	2024-07-03
Identifier:	(2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid

UHW

UHW
Name:	4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
Formula:	C12 H16 N2 O3 S
SMILES:	CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C12H16N2O3S/c1-13-6-8-14(9-7-13)18(16,17)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3
Definition date:	2021-02-23
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde

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