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XDV

XDV
Name:	2-[2-(2-aminoethoxy)ethoxy]acetamide
Formula:	C6 H14 N2 O3
SMILES:	NC(COCCOCCN)=O
InChi:	InChI=1S/C6H14N2O3/c7-1-2-10-3-4-11-5-6(8)9/h1-5,7H2,(H2,8,9)
Definition date:	2020-12-11
Last modified:	2024-09-27
Release date:	2020-12-23
Identifier:	2-[2-(2-aminoethoxy)ethoxy]acetamide

ZV4

ZV4
Name:	(2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid
Formula:	C9 H12 N O5 P
SMILES:	N[CH](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C9H12NO5P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
Synonyms:	phosphophenylalanine
Definition date:	2023-04-06
Last modified:	2024-09-27
Release date:	2023-04-19
Identifier:	(2~{S})-2-azanyl-3-(4-phosphonophenyl)propanoic acid

ZDP

ZDP
Name:	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
Formula:	C8 H16 N2 O4
SMILES:	O=C(O)C(N)(CCCC(N)C(=O)O)C
InChi:	InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m0/s1
Definition date:	2006-04-13
Last modified:	2024-09-27
Identifier:	(2S,6S)-2,6-diamino-2-methylheptanedioic acid

AZ0

AZ0
Name:	ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
Formula:	C30 H48 N4 O8
SMILES:	O=C(OCC)C(O)CC(=O)N(NC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
InChi:	InChI=1S/C30H48N4O8/c1-8-41-29(39)25(35)16-26(36)34(17-21(6)7)33-28(38)24(15-20(4)5)31-27(37)23(14-19(2)3)32-30(40)42-18-22-12-10-9-11-13-22/h9-13,19-21,23-25,35H,8,14-18H2,1-7H3,(H,31,37)(H,32,40)(H,33,38)/t23-,24-,25-/m0/s1
Definition date:	2009-03-18
Last modified:	2024-09-27
Identifier:	ethyl (5S,8S,14S)-14-hydroxy-5,8,11-tris(2-methylpropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate

WJB

WJB
Name:	(1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C24 H37 N3 O10 S2
SMILES:	CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C24H37N3O10S2/c1-15(2)12-18(21(29)26-19(22(30)39(34,35)36)13-16-10-11-25-20(16)28)27-23(31)37-14-24(3,4)38(32,33)17-8-6-5-7-9-17/h5-9,15-16,18-19,22,30H,10-14H2,1-4H3,(H,25,28)(H,26,29)(H,27,31)(H,34,35,36)/t16-,18-,19-,22+/m0/s1
Definition date:	2022-09-13
Last modified:	2024-09-27
Release date:	2022-09-21
Identifier:	(1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

ZDR

ZDR
Name:	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
Formula:	C8 H16 N2 O4
SMILES:	O=C(O)C(N)(CCCC(N)C(=O)O)C
InChi:	InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8+/m0/s1
Definition date:	2006-04-13
Last modified:	2024-09-27
Identifier:	(2R,6S)-2,6-diamino-2-methylheptanedioic acid

XDY

XDY
Name:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C14 H20 N4 O5
SMILES:	C(CN(C1C(N)CCC1)C(=O)CN2C(NC(=O)C(C)=C2)=O)(O)=O
InChi:	InChI=1S/C14H20N4O5/c1-8-5-17(14(23)16-13(8)22)6-11(19)18(7-12(20)21)10-4-2-3-9(10)15/h5,9-10H,2-4,6-7,15H2,1H3,(H,20,21)(H,16,22,23)/t9-,10-/m0/s1
Definition date:	2020-12-11
Last modified:	2024-09-27
Release date:	2020-12-23
Identifier:	N-[(1S,2S)-2-aminocyclopentyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

AZ1

AZ1
Name:	AZELAIC ACID
Formula:	C9 H16 O4
SMILES:	O=C(O)CCCCCCCC(=O)O
InChi:	InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
Definition date:	2004-07-07
Last modified:	2024-09-27
Identifier:	nonanedioic acid

L2O

L2O
Name:	(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid
Formula:	C7 H15 N O3
SMILES:	O=C(O)C(O)C(N)CC(C)C
InChi:	InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
Definition date:	2010-10-09
Last modified:	2024-09-27
Identifier:	(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid

K8P

K8P
Name:	[(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate
Formula:	C8 H16 N O7 P
SMILES:	C[CH](N[CH](O)[CH](O)CO[P](O)(O)=O)C(=O)C=C
InChi:	InChI=1S/C8H16NO7P/c1-3-6(10)5(2)9-8(12)7(11)4-16-17(13,14)15/h3,5,7-9,11-12H,1,4H2,2H3,(H2,13,14,15)/t5-,7+,8+/m0/s1
Definition date:	2016-08-11
Last modified:	2024-09-27
Release date:	2017-01-18
Identifier:	[(2~{R},3~{R})-2,3-bis(oxidanyl)-3-[[(2~{S})-3-oxidanylidenepent-4-en-2-yl]amino]propyl] dihydrogen phosphate

PYX

PYX
Name:	S-[S-THIOPYRIDOXAMINYL]CYSTEINE
Formula:	C11 H17 N3 O3 S2
SMILES:	O=C(O)C(N)CSSCc1cnc(c(O)c1CN)C
InChi:	InChI=1S/C11H17N3O3S2/c1-6-10(15)8(2-12)7(3-14-6)4-18-19-5-9(13)11(16)17/h3,9,15H,2,4-5,12-13H2,1H3,(H,16,17)/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-({[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl}disulfanyl)-L-alanine

L2P

L2P
Name:	2,3-DI-PHYTANYL-GLYCEROL
Formula:	C43 H88 O3
SMILES:	OCC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChi:	InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1
Synonyms:	1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL
Definition date:	1999-09-22
Last modified:	2024-09-27
Identifier:	(2R)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol

ZV7

ZV7
Name:	2-chloro-N-(3-oxopropyl)acetohydrazide
Formula:	C5 H9 Cl N2 O2
SMILES:	ClCC(=O)N(N)CCC=O
InChi:	InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2
Definition date:	2023-04-06
Last modified:	2024-09-27
Release date:	2024-04-03
Identifier:	2-chloro-N-(3-oxopropyl)acetohydrazide

W2P

W2P
Name:	N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide
Formula:	C27 H28 Cl F3 N6 O2
SMILES:	FC(F)(F)c4cc(Oc1ccc(cc1Cl)Nc2ncnc3c2n(cc3)CCNC(=O)CCCN(C)C)ccc4
InChi:	InChI=1S/C27H28ClF3N6O2/c1-36(2)12-4-7-24(38)32-11-14-37-13-10-22-25(37)26(34-17-33-22)35-19-8-9-23(21(28)16-19)39-20-6-3-5-18(15-20)27(29,30)31/h3,5-6,8-10,13,15-17H,4,7,11-12,14H2,1-2H3,(H,32,38)(H,33,34,35)
Definition date:	2012-12-06
Last modified:	2024-09-27
Release date:	2013-01-11
Identifier:	N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide

XV1

XV1
Name:	7-(2-fluorobenzyl)quinolin-8-ol
Formula:	C16 H12 F N O
SMILES:	Fc1ccccc1Cc2c(O)c3ncccc3cc2
InChi:	InChI=1S/C16H12FNO/c17-14-6-2-1-4-12(14)10-13-8-7-11-5-3-9-18-15(11)16(13)19/h1-9,19H,10H2
Definition date:	2009-09-11
Last modified:	2024-09-27
Identifier:	7-(2-fluorobenzyl)quinolin-8-ol

ILQ

ILQ
Name:	(10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide
Formula:	C35 H42 Cl N5 O4 Si
SMILES:	CNc1ccc2c(c1)[Si](C)(C)c3cc(N)ccc3[C]24N(C#N)C(=O)c5ccc(cc45)C(=O)NCCOCCOCCCCCCCl
InChi:	InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)35(29)30-20-24(8-11-27(30)34(43)41(35)23-37)33(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22,39H,4-7,14-19,38H2,1-3H3,(H,40,42)/t35-/m1/s1
Definition date:	2022-04-06
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	(10~{R})-7-azanyl-~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide

XE0

XE0
Name:	4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol
Formula:	C13 H9 Cl2 F3 N2 O
SMILES:	Oc1nc(CCc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F
InChi:	InChI=1S/C13H9Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1,3,5-6H,2,4H2,(H,19,20,21)
Definition date:	2022-11-14
Last modified:	2024-09-27
Release date:	2023-10-18
Identifier:	4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol

JFF

JFF
Name:	(2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid
Formula:	C19 H26 Cl N5 O6 S
SMILES:	NCC(CN)=C(SCC(NC(O)=O)C(O)=O)c1ccc(cc1)C(=O)NCCNC(=O)CCl
InChi:	InChI=1S/C19H26ClN5O6S/c20-7-15(26)23-5-6-24-17(27)12-3-1-11(2-4-12)16(13(8-21)9-22)32-10-14(18(28)29)25-19(30)31/h1-4,14,25H,5-10,21-22H2,(H,23,26)(H,24,27)(H,28,29)(H,30,31)
Definition date:	2022-08-10
Last modified:	2024-09-27
Release date:	2023-11-15
Identifier:	(2~{R})-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid

YBU

YBU
Name:	(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine
Formula:	C9 H7 N3 O
SMILES:	N=Cc1oc(nn1)c2ccccc2
InChi:	InChI=1S/C9H7N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
Definition date:	2023-06-13
Last modified:	2024-09-27
Release date:	2023-06-28
Identifier:	(5-phenyl-1,3,4-oxadiazol-2-yl)methanimine

XV4

XV4
Name:	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:	C23 H32 N4 O5
SMILES:	C3(C(CC(NC(C(CC(C)C)NC(c1nc2c(c1)c(OC)ccc2)=O)=O)CO)CCN3)=O
InChi:	InChI=1S/C23H32N4O5/c1-13(2)9-18(22(30)25-15(12-28)10-14-7-8-24-21(14)29)27-23(31)19-11-16-17(26-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,26,28H,7-10,12H2,1-3H3,(H,24,29)(H,25,30)(H,27,31)/t14-,15-,18-/m0/s1
Definition date:	2021-01-14
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

ILU

ILU
Name:	[7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium
Formula:	C35 H43 Cl N5 O4 Si
SMILES:	C[NH+]=C1C=CC2=C(c3ccc(N)cc3[Si](C)(C)C2=C1)c4cc(ccc4C(=O)NC#N)C(=O)NCCOCCOCCCCCCCl
InChi:	InChI=1S/C35H42ClN5O4Si/c1-39-26-10-13-29-32(22-26)46(2,3)31-21-25(38)9-12-28(31)33(29)30-20-24(8-11-27(30)35(43)41-23-37)34(42)40-15-17-45-19-18-44-16-7-5-4-6-14-36/h8-13,20-22H,4-7,14-19,38H2,1-3H3,(H,40,42)(H,41,43)/p+1/b39-26+
Definition date:	2022-04-06
Last modified:	2024-09-27
Release date:	2023-02-01
Identifier:	[7-azanyl-10-[5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-(cyanocarbamoyl)phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium

LGG

LGG
Name:	N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE
Formula:	C34 H51 N7 O11
SMILES:	O=C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CC(C)C)CCC(=O)O
InChi:	InChI=1S/C34H51N7O11/c1-19(2)17-25(33(51)38-22(9-13-27(35)43)10-15-29(45)46)40-32(50)24(11-14-28(36)44)39-34(52)26(18-21-7-5-4-6-8-21)41-31(49)23(37-20(3)42)12-16-30(47)48/h4-8,19,22-26H,9-18H2,1-3H3,(H2,35,43)(H2,36,44)(H,37,42)(H,38,51)(H,39,52)(H,40,50)(H,41,49)(H,45,46)(H,47,48)/t22-,23-,24-,25-,26-/m0/s1
Definition date:	2006-10-13
Last modified:	2024-09-27
Identifier:	N-acetyl-L-alpha-glutamyl-L-phenylalanyl-L-glutaminyl-N-[(1S)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-L-leucinamide

I6O

I6O
Name:	1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
Formula:	C20 H27 N3
SMILES:	C1CC(Cn2cc(nc2C2CCCN2)c2ccccc2)CCC1
InChi:	InChI=1S/C20H27N3/c1-3-8-16(9-4-1)14-23-15-19(17-10-5-2-6-11-17)22-20(23)18-12-7-13-21-18/h2,5-6,10-11,15-16,18,21H,1,3-4,7-9,12-14H2/t18-/m0/s1
Definition date:	2023-07-28
Last modified:	2024-09-27
Release date:	2024-05-29
Identifier:	1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole

JUG

JUG
Name:	5-hydroxynaphthalene-1,4-dione
Formula:	C10 H6 O3
SMILES:	O=C2c1c(c(O)ccc1)C(=O)C=C2
InChi:	InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
Synonyms:	Juglone
Definition date:	2007-11-01
Last modified:	2024-09-27
Identifier:	5-hydroxynaphthalene-1,4-dione

YBZ

YBZ
Name:	(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
Formula:	C9 H7 N3 S
SMILES:	N=Cc1sc(nn1)c2ccccc2
InChi:	InChI=1S/C9H7N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-6,10H/b10-6-
Definition date:	2023-06-13
Last modified:	2024-09-27
Release date:	2023-07-26
Identifier:	(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine

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