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LVN

LVN
Name:	(3S)-4-oxo-L-valine
Formula:	C5 H9 N O3
SMILES:	C[CH](C=O)[CH](N)C(O)=O
InChi:	InChI=1S/C5H9NO3/c1-3(2-7)4(6)5(8)9/h2-4H,6H2,1H3,(H,8,9)/t3-,4+/m1/s1
Synonyms:	(2S,3S)-2-amino-3-methyl-4-oxo-butanoic acid
Definition date:	2009-11-29
Last modified:	2024-09-27
Identifier:	(2S,3S)-2-azanyl-3-methyl-4-oxo-butanoic acid

N40

N40
Name:	3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide
Formula:	C24 H45 N3 O5 S
SMILES:	C(CCCCCCC)S(NC(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O
InChi:	InChI=1S/C24H45N3O5S/c1-2-3-4-5-6-10-15-33(31,32)27-22(16-19-11-8-7-9-12-19)24(30)26-21(18-28)17-20-13-14-25-23(20)29/h19-22,27-28H,2-18H2,1H3,(H,25,29)(H,26,30)/t20-,21-,22-/m0/s1
Synonyms:	3-cyclohexyl-N~2~-(octylsulfonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide (bound form)
Definition date:	2016-09-12
Last modified:	2024-09-27
Release date:	2016-11-23
Identifier:	3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-(octylsulfonyl)-L-alaninamide

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

OCA

OCA
Name:	OCTANOIC ACID (CAPRYLIC ACID)
Formula:	C8 H16 O2
SMILES:	O=C(O)CCCCCCC
InChi:	InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	octanoic acid

ORT

ORT
Name:	(4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide
Formula:	C5 H11 N3 O3
SMILES:	NNC(=O)CC[CH](N)C(O)=O
InChi:	InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1
Definition date:	2020-04-01
Last modified:	2024-09-27
Release date:	2020-07-01
Identifier:	(2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid

T7Y

T7Y
Name:	N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
Formula:	C12 H14 N2 O2
SMILES:	N2(c1cccc(c1)NC(C)=O)CCCC2=O
InChi:	InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

ALK

ALK
Name:	methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid
Formula:	C3 H9 O4 P
SMILES:	CO[P](O)(=O)[CH](C)O
InChi:	InChI=1S/C3H9O4P/c1-3(4)8(5,6)7-2/h3-4H,1-2H3,(H,5,6)/t3-/m1/s1
Definition date:	2007-12-14
Last modified:	2024-09-27
Identifier:	methoxy-[(1~{R})-1-oxidanylethyl]phosphinic acid

VOX

VOX
Name:	~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide
Formula:	C35 H52 N6 O6
SMILES:	C[CH](O)[CH](NC(=O)CCCCCCc1ccc(NNc2ccc(C)cc2)cc1)C(=O)N[CH]3C[CH](O)CCNC(=O)CC[CH](C)NC3=O
InChi:	InChI=1S/C35H52N6O6/c1-23-10-15-27(16-11-23)40-41-28-17-13-26(14-18-28)8-6-4-5-7-9-32(45)39-33(25(3)42)35(47)38-30-22-29(43)20-21-36-31(44)19-12-24(2)37-34(30)46/h10-11,13-18,24-25,29-30,33,40-43H,4-9,12,19-22H2,1-3H3,(H,36,44)(H,37,46)(H,38,47)(H,39,45)/t24-,25+,29-,30-,33-/m0/s1
Definition date:	2023-03-22
Last modified:	2024-09-27
Release date:	2023-12-27
Identifier:	~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-7-[4-[2-(4-methylphenyl)hydrazinyl]phenyl]heptanamide

USW

USW
Name:	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
Formula:	C15 H12 Cl N O4 S
SMILES:	Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C15H12ClNO4S/c16-12-3-6-14-15(9-12)21-8-7-17(14)22(19,20)13-4-1-11(10-18)2-5-13/h1-6,9-10H,7-8H2
Definition date:	2021-03-15
Last modified:	2024-09-27
Release date:	2021-06-09
Identifier:	4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde

SEI

SEI
Name:	1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE
Formula:	C29 H37 F5 N4 O6
SMILES:	O=C(c2ccc(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)C(F)(F)C(F)(F)F)C(C)C)CCC1)C(C)C)cc2)N3CCOCC3
InChi:	InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21-,22-/m0/s1
Synonyms:	MDL 101,146
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	N-{[4-(morpholin-4-ylcarbonyl)phenyl]carbonyl}-L-valyl-N-[(1S)-3,3,4,4,4-pentafluoro-1-(1-methylethyl)-2-oxobutyl]-L-prolinamide

N42

N42
Name:	N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide
Formula:	C38 H41 N5 O5
SMILES:	C=[C@H]C(=O)Nc2c(C(=O)N1CCOCC1)ccc(c2)NC3=CC(=CN(C3=O)C)c4cccc(c4C)NC(=O)c5ccc(cc5)C(C)(C)C
InChi:	InChI=1S/C38H41N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h7-16,21-23,39H,1,17-20H2,2-6H3,(H,40,44)(H,41,45)
Definition date:	2016-04-20
Last modified:	2024-09-27
Release date:	2017-04-19
Identifier:	N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide

NXT

NXT
Name:	4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Formula:	C9 H10 O3
SMILES:	OC(=O)c1coc2CCCCc12
InChi:	InChI=1S/C9H10O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11)
Definition date:	2020-01-07
Last modified:	2024-09-27
Release date:	2020-11-25
Identifier:	4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

VOY

VOY
Name:	(2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide
Formula:	C31 H30 N8 O3
SMILES:	CCOc2cc1ncc(c(c1cc2NC([C@H]=[C@H]CN(C)C)=O)Nc3cc(c(cc3)Oc5cc4ncnn4cc5)C)C#N
InChi:	InChI=1S/C31H30N8O3/c1-5-41-28-16-25-24(15-26(28)37-30(40)7-6-11-38(3)4)31(21(17-32)18-33-25)36-22-8-9-27(20(2)13-22)42-23-10-12-39-29(14-23)34-19-35-39/h6-10,12-16,18-19H,5,11H2,1-4H3,(H,33,36)(H,37,40)/b7-6+
Definition date:	2020-08-31
Last modified:	2024-09-27
Release date:	2021-09-08
Identifier:	(2E)-N-[3-cyano-7-ethoxy-4-({3-methyl-4-[([1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]phenyl}amino)quinolin-6-yl]-4-(dimethylamino)but-2-enamide

NXU

NXU
Name:	(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C19 H22 N2 O5 S
SMILES:	O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3c2ccccc2ccc3O
InChi:	InChI=1S/C19H22N2O5S/c1-19(2)15(18(25)26)21-17(27-19)12(9-22)20-16(24)14-11-6-4-3-5-10(11)7-8-13(14)23/h3-8,12,15,17,21-23H,9H2,1-2H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2014-09-24
Identifier:	(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

BE1

BE1
Name:	N-BROMOACETYL-AMINOETHYL PHOSPHATE
Formula:	C4 H9 Br N O5 P
SMILES:	O=P(O)(OCCN(Br)C(=O)C)O
InChi:	InChI=1S/C4H9BrNO5P/c1-4(7)6(5)2-3-11-12(8,9)10/h2-3H2,1H3,(H2,8,9,10)
Definition date:	2000-03-08
Last modified:	2024-09-27
Identifier:	2-[acetyl(bromo)amino]ethyl dihydrogen phosphate

USX

USX
Name:	2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide
Formula:	C20 H20 N2 O5
SMILES:	COc1cc(C[CH]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O
InChi:	InChI=1S/C20H20N2O5/c1-12(23)22-15-6-4-3-5-14(15)20(25)16(22)9-13-7-8-17(18(10-13)26-2)27-11-19(21)24/h3-8,10,16H,9,11H2,1-2H3,(H2,21,24)/t16-/m0/s1
Definition date:	2023-06-19
Last modified:	2024-09-27
Release date:	2024-06-19
Identifier:	2-[4-[[(2~{S})-1-ethanoyl-3-oxidanylidene-2~{H}-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide

ORW

ORW
Name:	1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea
Formula:	C17 H27 N5 O2
SMILES:	CC(C)C[CH](NC(=O)NCc1ccccc1)C(=O)N(C)N(C)C=N
InChi:	InChI=1S/C17H27N5O2/c1-13(2)10-15(16(23)22(4)21(3)12-18)20-17(24)19-11-14-8-6-5-7-9-14/h5-9,12-13,15,18H,10-11H2,1-4H3,(H2,19,20,24)/b18-12-/t15-/m0/s1
Definition date:	2020-04-01
Last modified:	2024-09-27
Release date:	2020-12-16
Identifier:	1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea

OCD

OCD
Name:	octadecanal
Formula:	C18 H36 O
SMILES:	C(CCCCCCCCCCCCCCCCC)=O
InChi:	InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
Definition date:	2016-07-29
Last modified:	2024-09-27
Release date:	2017-03-15
Identifier:	octadecanal

BE2

BE2
Name:	2-AMINOBENZOIC ACID
Formula:	C7 H7 N O2
SMILES:	O=C(O)c1ccccc1N
InChi:	InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	2-aminobenzoic acid

ALN

ALN
Name:	NAPHTHALEN-2-YL-3-ALANINE
Formula:	C13 H13 N O2
SMILES:	O=C(O)C(N)Cc2cccc1ccccc12
InChi:	InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/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-1-ylpropanoic acid (non-preferred name)

OCE

OCE
Name:	octanedioic acid
Formula:	C8 H14 O4
SMILES:	O=C(O)CCCCCCC(=O)O
InChi:	InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
Definition date:	2010-05-26
Last modified:	2024-09-27
Identifier:	octanedioic acid

T81

T81
Name:	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C11 H15 Br N2 O S
SMILES:	N1(CCN(CC1)C(C)=O)Cc2ccc(s2)Br
InChi:	InChI=1S/C11H15BrN2OS/c1-9(15)14-6-4-13(5-7-14)8-10-2-3-11(12)16-10/h2-3H,4-8H2,1H3
Definition date:	2020-03-16
Last modified:	2024-09-27
Release date:	2020-03-25
Identifier:	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one

LVS

LVS
Name:	4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE
Formula:	C28 H43 I N4 O8 S
SMILES:	O=[N+]([O-])c1cc(cc(I)c1O)CC(=O)NC(C(=O)NC(C(=O)NC(C=C/S(=O)(=O)C)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C28H43IN4O8S/c1-16(2)10-20(8-9-42(7,40)41)30-27(36)23(12-18(5)6)32-28(37)22(11-17(3)4)31-25(34)15-19-13-21(29)26(35)24(14-19)33(38)39/h8-9,13-14,16-18,20,22-23,35H,10-12,15H2,1-7H3,(H,30,36)(H,31,34)(H,32,37)/t20-,22+,23+/m1/s1
Definition date:	2002-03-04
Last modified:	2024-09-27
Identifier:	N-[(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]-L-leucyl-N-{(1S)-3-methyl-1-[(Z)-2-(methylsulfonyl)ethenyl]butyl}-L-leucinamide

ORX

ORX
Name:	N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE
Formula:	C13 H22 N3 O7 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN
InChi:	InChI=1S/C13H22N3O7P/c1-8-12(17)10(6-16-11(13(18)19)3-2-4-14)9(5-15-8)7-23-24(20,21)22/h5,11,16-17H,2-4,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/t11-/m1/s1
Definition date:	2003-02-10
Last modified:	2024-09-27
Identifier:	N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-ornithine

PMF

PMF
Name:	PHENYLMETHYLSULFONYL FLUORIDE
Formula:	C7 H7 F O2 S
SMILES:	FS(=O)(=O)Cc1ccccc1
InChi:	InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
Synonyms:	PMSF
Definition date:	2001-03-29
Last modified:	2024-09-27
Release date:	2019-01-16
Identifier:	phenylmethanesulfonyl fluoride

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