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W59

W59
Name:	5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE
Formula:	C22 H30 N2 O3
SMILES:	N1=C(OCC1CC)c3ccc(OCCCCCCCc2onc(c2)C)cc3
InChi:	InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3/t19-/m0/s1
Synonyms:	COMPOUND III(S)
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	5-(7-{4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methylisoxazole

Z0M

Z0M
Name:	N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE
Formula:	C19 H25 N3 O4 S
SMILES:	O=C(NC2c1nc(cn1C(C(O)C2O)CO)CCc3ccccc3)CCS
InChi:	InChI=1S/C19H25N3O4S/c23-11-14-17(25)18(26)16(21-15(24)8-9-27)19-20-13(10-22(14)19)7-6-12-4-2-1-3-5-12/h1-5,10,14,16-18,23,25-27H,6-9,11H2,(H,21,24)/t14-,16-,17-,18-/m1/s1
Synonyms:	GLCNACSTATIN F
Definition date:	2010-08-26
Last modified:	2021-03-01
Identifier:	N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-3-sulfanylpropanamide

YIX

YIX
Name:	1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
Formula:	C19 H23 N5 O S
SMILES:	O=C(NCC)NCc3ccccc3Sc1cn2c(nnc2cc1)C(C)C
InChi:	InChI=1S/C19H23N5OS/c1-4-20-19(25)21-11-14-7-5-6-8-16(14)26-15-9-10-17-22-23-18(13(2)3)24(17)12-15/h5-10,12-13H,4,11H2,1-3H3,(H2,20,21,25)
Synonyms:	CE-159167
Definition date:	2011-05-17
Last modified:	2021-03-01
Identifier:	1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea

UEP

UEP
Name:	6-ethyluridine 5'-phosphate
Formula:	C11 H17 N2 O9 P
SMILES:	O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O)(O)O
InChi:	InChI=1S/C11H17N2O9P/c1-2-5-3-7(14)12-11(17)13(5)10-9(16)8(15)6(22-10)4-21-23(18,19)20/h3,6,8-10,15-16H,2,4H2,1H3,(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1
Synonyms:	6-ethyl-UMP
Definition date:	2008-10-23
Last modified:	2021-03-01
Identifier:	6-ethyluridine 5'-(dihydrogen phosphate)

UT0

UT0
Name:	1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
Formula:	C19 H20 N2 O4 S
SMILES:	CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O
InChi:	InChI=1S/C19H20N2O4S/c1-4-25-19-8-6-15(13(2)22)11-17(19)20-16-7-5-14-9-10-21(18(14)12-16)26(3,23)24/h5-12,20H,4H2,1-3H3
Synonyms:	UT07C
Definition date:	2016-12-09
Last modified:	2021-03-01
Release date:	2017-12-20
Identifier:	1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone

VOG

VOG
Name:	(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
Formula:	C10 H21 N O7
SMILES:	C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO
InChi:	InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
Synonyms:	voglibose
Definition date:	2018-01-30
Last modified:	2021-03-01
Release date:	2018-02-28
Identifier:	(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

X3X

X3X
Name:	bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate
Formula:	C6 H15 O8 P
SMILES:	O=P(OCC(O)CO)(OCC(O)CO)O
InChi:	InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1
Synonyms:	diglycerolphosphate
Definition date:	2013-10-14
Last modified:	2021-03-01
Release date:	2013-11-13
Identifier:	bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate

Z23

Z23
Name:	DI[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE
Formula:	C20 H19 F2 N5 O2
SMILES:	Fc3c(Oc1cc(C(=[NH2+])N)ccc1)nc(Oc2cccc(C(=[NH2+])N)c2)c(F)c3C
InChi:	InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+2
Synonyms:	ZK-805623
Definition date:	1999-08-30
Last modified:	2021-03-01
Identifier:	[(3,5-difluoro-4-methylpyridine-2,6-diyl)bis(oxybenzene-3,1-diyl)]bis(aminomethaniminium)

ZOL

ZOL
Name:	ZOLEDRONIC ACID
Formula:	C5 H10 N2 O7 P2
SMILES:	O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
InChi:	InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
Synonyms:	(1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID
Definition date:	2005-06-06
Last modified:	2021-03-01
Identifier:	[1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid)

ZON

ZON
Name:	1-(1,2-benzoxazol-3-yl)methanesulfonamide
Formula:	C8 H8 N2 O3 S
SMILES:	O=S(=O)(N)Cc2noc1ccccc12
InChi:	InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
Synonyms:	Zonisamide
Definition date:	2010-11-26
Last modified:	2021-03-01
Identifier:	1-(1,2-benzoxazol-3-yl)methanesulfonamide

UTX

UTX
Name:	2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide
Formula:	C21 H29 B12 N6 O5 S
SMILES:	ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21
InChi:	InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1
Synonyms:	UTX-97
Definition date:	2016-12-08
Last modified:	2021-03-01
Release date:	2017-06-28

VPD

VPD
Name:	6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C19 H29 Cl N5 O9 P
SMILES:	C(CO)(OCC1C(C(C(O1)n4c2c(c(nc(Cl)n2)NC3CCCC3)cn4)O)O)(COC)P(=O)(O)O
InChi:	InChI=1S/C19H29ClN5O9P/c1-32-9-19(8-26,35(29,30)31)33-7-12-13(27)14(28)17(34-12)25-16-11(6-21-25)15(23-18(20)24-16)22-10-4-2-3-5-10/h6,10,12-14,17,26-28H,2-5,7-9H2,1H3,(H,22,23,24)(H2,29,30,31)/t12-,13-,14-,17-,19-/m1/s1
Synonyms:	OP-0105244
Definition date:	2020-08-31
Last modified:	2021-03-01
Release date:	2020-09-23
Identifier:	6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine

RZX

RZX
Name:	2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole
Formula:	C18 H21 N3 O3 S
SMILES:	O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C
InChi:	InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1
Synonyms:	Rabeprazole
Definition date:	2010-11-09
Last modified:	2021-03-01
Identifier:	2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole

W71

W71
Name:	5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE
Formula:	C20 H26 N2 O3
SMILES:	N1=C(OCC1)c3ccc(OCCCCCCCc2onc(c2)C)cc3
InChi:	InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
Synonyms:	COMPOUND IV
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	5-{7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl}-3-methylisoxazole

VPP

VPP
Name:	(2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C23 H29 N5 O8 S
SMILES:	O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3
InChi:	InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17+/m1/s1
Synonyms:	(5S)-Penicilloic Acid
Definition date:	2013-07-18
Last modified:	2021-03-01
Release date:	2013-11-06
Identifier:	(2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

UGA

UGA
Name:	URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
Formula:	C15 H22 N2 O18 P2
SMILES:	O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O
InChi:	InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
Synonyms:	UDP-GLUCURONIC ACID
Definition date:	1999-12-13
Last modified:	2021-03-01
Identifier:	(2S,3S,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

S02

S02
Name:	PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER
Formula:	C18 H31 O7 P
SMILES:	O=P(O)(O)OCCOC2CC/C(=C/C=C1CCC(OCCO)CC1)CC2
InChi:	InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1
Synonyms:	STILBENEDIETHER NUCLEOTIDE LINKER
Definition date:	1999-08-18
Last modified:	2021-03-01
Identifier:	2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate

ZPC

ZPC
Name:	(5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate
Formula:	C17 H17 Cl N6 O3
SMILES:	O=C(OC3c1nccnc1C(=O)N3c2ncc(Cl)cc2)N4CCN(C)CC4
InChi:	InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m1/s1
Synonyms:	R-ZOPICLONE
Definition date:	2011-11-25
Last modified:	2021-03-01
Release date:	2012-10-12
Identifier:	(5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate

VPU

VPU
Name:	[[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate
Formula:	C18 H25 N3 O7
SMILES:	O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)CCCC)Nc2ccccc2
InChi:	InChI=1S/C18H25N3O7/c1-2-3-9-13(23)20-14-16(25)15(24)12(10-22)27-17(14)21-28-18(26)19-11-7-5-4-6-8-11/h4-8,12,14-16,22,24-25H,2-3,9-10H2,1H3,(H,19,26)(H,20,23)/b21-17-/t12-,14-,15-,16-/m1/s1
Synonyms:	N-Valeryl-PUGNAc
Definition date:	2009-04-15
Last modified:	2021-03-01
Identifier:	N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]pentanamide (non-preferred name)

ZPH

ZPH
Name:	methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate
Formula:	C15 H24 N O5 P
SMILES:	O=C(OC)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1
InChi:	InChI=1S/C15H24NO5P/c1-11(2)9-14(16)22(18,19)21-13(15(17)20-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,18,19)/t13-,14+/m0/s1
Synonyms:	LP(0)PHEOMe
Definition date:	2010-10-22
Last modified:	2021-03-01
Identifier:	methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate

ZPN

ZPN
Name:	(2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide
Formula:	C29 H39 N O6
SMILES:	O=C(/C=CC=CC)NC(O)C1OC(=O)C=CC=C(CC(=O)CCCC2OC(C=C(C)C1)CC(=C)/C2)C
InChi:	InChI=1S/C29H39NO6/c1-5-6-7-13-27(32)30-29(34)26-19-22(4)18-25-17-21(3)16-24(35-25)12-9-11-23(31)15-20(2)10-8-14-28(33)36-26/h5-8,10,13-14,18,24-26,29,34H,3,9,11-12,15-17,19H2,1-2,4H3,(H,30,32)/b6-5+,13-7-,14-8+,20-10-,22-18+/t24-,25-,26-,29-/m0/s1
Synonyms:	(-)-ZAMPANOLIDE (Bound form)
Definition date:	2012-12-20
Last modified:	2021-03-01
Release date:	2013-01-18
Identifier:	(2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide

ZPR

ZPR
Name:	N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL
Formula:	C18 H22 N2 O4
SMILES:	O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3
InChi:	InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
Synonyms:	Z-PRO-PROLINAL
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	benzyl (2S)-2-{[(2S)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate

WPC

WPC
Name:	[29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron
Formula:	C32 H16 Fe N8
SMILES:	N1=C5c%12c(C=4N=C8c%11ccccc%11C7=NC%10=[N+]6C(=Nc3n(c1c2ccccc23)[Fe]6([N+]=45)N78)c9ccccc9%10)cccc%12
InChi:	InChI=1S/C32H16N8.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25
Synonyms:	Phthalocyanine containing Fe
Definition date:	2013-03-27
Last modified:	2021-03-01
Release date:	2014-01-29
Identifier:	[29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron(2+)

HBN

HBN
Name:	N-(2-NAPHTHYL)HISTIDINAMIDE
Formula:	C16 H16 N4 O
SMILES:	O=C(Nc2cc1ccccc1cc2)C(N)Cc3cncn3
InChi:	InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m1/s1
Synonyms:	L-HISTIDINE BETA NAPHTHYLAMIDE
Definition date:	2004-04-05
Last modified:	2021-03-01
Identifier:	N-naphthalen-2-yl-D-histidinamide

XMP

XMP
Name:	XANTHOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N4 O9 P
SMILES:	O=C3Nc1c([nH+]cn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N3
InChi:	InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p+1/t3-,5-,6-,9-/m1/s1
Synonyms:	5-MONOPHOSPHATE-9-BETA-D-RIBOFURANOSYL XANTHINE
Definition date:	1999-07-12
Last modified:	2021-03-01
Identifier:	5'-xanthylic acid

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