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P99

P99
Name:	2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide
Formula:	C16 H16 F2 N2 O4 S2
SMILES:	O=S(=O)(c1ccccc1)NCCSc2cc(F)c(OCC(=O)N)c(F)c2
InChi:	InChI=1S/C16H16F2N2O4S2/c17-13-8-11(9-14(18)16(13)24-10-15(19)21)25-7-6-20-26(22,23)12-4-2-1-3-5-12/h1-5,8-9,20H,6-7,10H2,(H2,19,21)
Synonyms:	2-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]acetamide
Definition date:	2010-03-15
Last modified:	2020-06-17
Identifier:	2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide

P9N

P9N
Name:	Pregnanolone
Formula:	C21 H34 O2
SMILES:	CC(=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1
Synonyms:	(3alpha,5beta)-3-Hydroxypregnan-20-one
Definition date:	2017-10-22
Last modified:	2020-06-17
Release date:	2017-11-01
Identifier:	1-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]ethanone

PAD

PAD
Name:	5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE
Formula:	C21 H27 N7 O14 P2
SMILES:	NC(=O)c1cccc([nH+]1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H27N7O14P2/c22-18-12-20(25-6-24-18)28(7-26-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-2-1-3-9(27-8)19(23)33/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1
Synonyms:	CPAD
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	[(2R,3S,4R,5S)-5-(6-aminocarbonylpyridin-1-ium-2-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate

PB4

PB4
Name:	N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE
Formula:	C22 H20 F2 N4 O2
SMILES:	O=C(c2ncnc(C(=O)NCc1ccc(F)c(c1)C)c2)NCc3ccc(F)c(c3)C
InChi:	InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)
Synonyms:	PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE)
Definition date:	2004-10-28
Last modified:	2020-06-17
Identifier:	N,N'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide

PBG

PBG
Name:	3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID
Formula:	C10 H14 N2 O4
SMILES:	O=C(O)CCc1c(c(nc1)CN)CC(=O)O
InChi:	InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
Synonyms:	2-AMINOMETHYLPYRROL-3-ACETIC ACID 4-PROPIONIC ACID
Definition date:	2000-07-14
Last modified:	2020-06-17
Identifier:	3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid

PBU

PBU
Name:	(2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE
Formula:	C17 H33 O19 P3
SMILES:	O=C(OCC(OC(=O)CCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCC
InChi:	InChI=1S/C17H33O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-15-12(20)13(21)16(34-37(23,24)25)17(14(15)22)35-38(26,27)28/h9,12-17,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,12-,13+,14+,15-,16-,17-/m1/s1
Synonyms:	di-butanoyl L-alpha-phosphatidyl-D-myo-inositol 4,5-bisphosphate
Definition date:	2006-05-25
Last modified:	2020-06-17
Identifier:	(2R)-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate

PC7

PC7
Name:	(7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE
Formula:	C42 H85 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m0/s1
Synonyms:	PHOSPHATIDYLCHOLINE
Definition date:	2006-06-29
Last modified:	2020-06-17
Identifier:	(4R,7S)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide

PCK

PCK
Name:	(7R,18S,19R)-18,19-DIBROMO-7-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-P HOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE
Formula:	C44 H85 Br4 N O8 P
SMILES:	BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OCC(OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O
InChi:	InChI=1S/C44H84Br4NO8P/c1-6-8-10-12-16-22-28-39(45)41(47)30-24-18-14-20-26-32-43(50)54-36-38(37-56-58(52,53)55-35-34-49(3,4)5)57-44(51)33-27-21-15-19-25-31-42(48)40(46)29-23-17-13-11-9-7-2/h38-42H,6-37H2,1-5H3/p+1/t38-,39-,40+,41+,42+/m1/s1
Synonyms:	TETRABROMINATED PHOSPHATIDYLCHOLINE
Definition date:	2006-06-30
Last modified:	2020-06-17
Identifier:	(4R,7R,18S,19R)-18,19-dibromo-7-{[(9S,10S)-9,10-dibromooctadecanoyl]oxy}-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide

PCP

PCP
Name:	1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE
Formula:	C6 H15 O13 P3
SMILES:	O=P(OC1CC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
InChi:	InChI=1S/C6H15O13P3/c7-5-3(2-17-20(9,10)11)1-4(6(5)8)18-22(15,16)19-21(12,13)14/h3-8H,1-2H2,(H,15,16)(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/m1/s1
Synonyms:	CARBOXYLIC PRPP
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(1S,2R,3R,4R)-2,3-dihydroxy-4-[(phosphonooxy)methyl]cyclopentyl trihydrogen diphosphate

PD1

PD1
Name:	1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA
Formula:	C28 H41 N7 O3
SMILES:	O=C(NC(C)(C)C)Nc1nc3nc(ncc3cc1c2cc(OC)cc(OC)c2)NCCCCN(CC)CC
InChi:	InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
Synonyms:	PD 173074
Definition date:	1999-07-14
Last modified:	2020-06-17
Identifier:	1-tert-butyl-3-[2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea

PD5

PD5
Name:	1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
Formula:	C22 H20 F3 N7 O
SMILES:	FC(F)(F)c1cc(ccc1)NC(=O)Nc4ccc(c3nn(c2ncnc(c23)N)C(C)C)cc4
InChi:	InChI=1S/C22H20F3N7O/c1-12(2)32-20-17(19(26)27-11-28-20)18(31-32)13-6-8-15(9-7-13)29-21(33)30-16-5-3-4-14(10-16)22(23,24)25/h3-12H,1-2H3,(H2,26,27,28)(H2,29,30,33)
Synonyms:	1-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
Definition date:	2008-10-06
Last modified:	2020-06-17
Identifier:	1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea

PDG

PDG
Name:	N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID
Formula:	C13 H19 N2 O9 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCC(=O)O
InChi:	InChI=1S/C13H19N2O9P/c1-7-12(18)9(8(4-14-7)6-24-25(21,22)23)5-15-10(13(19)20)2-3-11(16)17/h4,10,15,18H,2-3,5-6H2,1H3,(H,16,17)(H,19,20)(H2,21,22,23)/t10-/m1/s1
Synonyms:	N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE
Definition date:	2005-04-25
Last modified:	2020-06-17
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-glutamic acid

NBO

NBO
Name:	nabumetone
Formula:	C15 H16 O2
SMILES:	O=C(C)CCc1ccc2c(c1)ccc(OC)c2
InChi:	InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
Synonyms:	4-(6-methoxynaphthalen-2-yl)butan-2-one
Definition date:	2011-08-11
Last modified:	2020-06-17
Identifier:	4-(6-methoxynaphthalen-2-yl)butan-2-one

NC7

NC7
Name:	7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID
Formula:	C14 H26 N2 O3
SMILES:	O=C(NC1CCCCC1)NCCCCCCC(=O)O
InChi:	InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19)
Synonyms:	4-(3-CYCLOHEXYLURIEDO)-HEPTANOIC ACID
Definition date:	2005-04-21
Last modified:	2020-06-17
Identifier:	7-[(cyclohexylcarbamoyl)amino]heptanoic acid

1XH

1XH
Name:	2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione
Formula:	C21 H28 O2
SMILES:	O=C1C=C(C(=O)C=C1)CC3(C(CCC2(C(=C)/CCCC23)C)C)C
InChi:	InChI=1S/C21H28O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20-,21+/m1/s1
Synonyms:	Arenarone
Definition date:	2014-02-26
Last modified:	2020-06-17
Release date:	2014-07-02
Identifier:	2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione

NCL

NCL
Name:	3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine
Formula:	C31 H41 N5 O2
SMILES:	O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCC(C4)C)CCN5CCCC(C)C5
InChi:	InChI=1S/C31H41N5O2/c1-22-5-3-13-35(20-22)15-11-30(37)32-26-9-7-24-17-25-8-10-27(19-29(25)34-28(24)18-26)33-31(38)12-16-36-14-4-6-23(2)21-36/h7-10,17-19,22-23H,3-6,11-16,20-21H2,1-2H3,(H,32,37)(H,33,38)/t22-,23-/m1/s1
Synonyms:	N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide}
Definition date:	2008-10-08
Last modified:	2020-06-17
Identifier:	N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide}

NCN

NCN
Name:	NICOTINATE MONONUCLEOTIDE
Formula:	C11 H14 N O9 P
SMILES:	[O-]P(=O)(O)OCC2OC([n+]1cc(ccc1)C(=O)O)C(O)C2O
InChi:	InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/t7-,8-,9-,10-/m1/s1
Synonyms:	NAMN
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	3-carboxy-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium

1YK

1YK
Name:	territrem B
Formula:	C29 H34 O9
SMILES:	O=C4OC(c1cc(OC)c(OC)c(OC)c1)=CC=5OC3(C(O)(C2(C(=O)C=CC(C2(O)CC3)(C)C)C)CC4=5)C
InChi:	InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1
Synonyms:	(4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H, 11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione
Definition date:	2013-08-05
Last modified:	2020-06-17
Release date:	2013-10-16
Identifier:	(4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione

NDH

NDH
Name:	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE
Formula:	C10 H10 O2
SMILES:	OC2C=Cc1c(cccc1)C2O
InChi:	InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1
Synonyms:	(1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL
Definition date:	2002-11-11
Last modified:	2020-06-17
Identifier:	(1R,2S)-1,2-dihydronaphthalene-1,2-diol

1YQ

1YQ
Name:	(2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
Formula:	C21 H16 Cl N3 O4
SMILES:	N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)ccc3
InChi:	InChI=1S/C21H16ClN3O4/c22-16-6-7-18(29-17-5-1-3-15(13-17)4-2-9-23)19(14-16)28-12-11-25-10-8-20(26)24-21(25)27/h1-8,10,13-14H,11-12H2,(H,24,26,27)/b4-2+
Synonyms:	(E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile
Definition date:	2013-08-07
Last modified:	2020-06-17
Release date:	2013-12-25
Identifier:	(2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile

NDN

NDN
Name:	2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C9 H12 N3 O10 P
SMILES:	[O-][N+](=O)C=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H12N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h2,5-7,13H,1,3H2,(H,10,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1
Synonyms:	[(2R,3S,5R)-3-HYDROXY-5-(5-NITRO-2,4-DIOXO-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Definition date:	2007-11-07
Last modified:	2020-06-17
Identifier:	2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)

1YR

1YR
Name:	(2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
Formula:	C21 H15 Br Cl N3 O4
SMILES:	N#CC=Cc3cc(Oc2ccc(Cl)cc2OCCN1C=CC(=O)NC1=O)cc(Br)c3
InChi:	InChI=1S/C21H15BrClN3O4/c22-15-10-14(2-1-6-24)11-17(12-15)30-18-4-3-16(23)13-19(18)29-9-8-26-7-5-20(27)25-21(26)28/h1-5,7,10-13H,8-9H2,(H,25,27,28)/b2-1+
Synonyms:	(E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile
Definition date:	2013-08-07
Last modified:	2020-06-17
Release date:	2013-12-25
Identifier:	(2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile

1Z7

1Z7
Name:	N-(3-methylbutanoyl)-L-valyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl}-L- valinamide
Formula:	C30 H50 N3 O8 P
SMILES:	O=C(NC(C(=O)NC(C(=O)NC(CC(C)C)P(=O)(OC(C(=O)OC)Cc1ccccc1)O)C(C)C)C(C)C)CC(C)C
InChi:	InChI=1S/C30H50N3O8P/c1-18(2)15-24(34)31-26(20(5)6)29(36)33-27(21(7)8)28(35)32-25(16-19(3)4)42(38,39)41-23(30(37)40-9)17-22-13-11-10-12-14-22/h10-14,18-21,23,25-27H,15-17H2,1-9H3,(H,31,34)(H,32,35)(H,33,36)(H,38,39)/t23-,25+,26-,27-/m0/s1
Synonyms:	IVA-VAL-VAL-LP(0)FOMe
Definition date:	2008-08-19
Last modified:	2020-06-17
Identifier:	N-(3-methylbutanoyl)-L-valyl-N-{(1R)-1-[(R)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy}phosphoryl]-3-methylbutyl}-L-valinamide

1ZK

1ZK
Name:	4-[(2R)-3-{[(1S,2S,3R,4S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2R)-2-methyl-1-[(pyridin-2-ylmethyl)carba moyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium
Formula:	C45 H62 N7 O7
SMILES:	O=C(NCc1ncccc1)C(NC(=O)C(C(C)C)C(O)C(O)C(NC(=O)C(NC(=O)COc3c2ccccc2ccc3)Cc4cnc[nH+]4)CC5CCCCC5)C(C)CC
InChi:	InChI=1S/C45H61N7O7/c1-5-29(4)40(45(58)48-25-32-18-11-12-21-47-32)52-44(57)39(28(2)3)42(55)41(54)35(22-30-14-7-6-8-15-30)51-43(56)36(23-33-24-46-27-49-33)50-38(53)26-59-37-20-13-17-31-16-9-10-19-34(31)37/h9-13,16-21,24,27-30,35-36,39-42,54-55H,5-8,14-15,22-23,25-26H2,1-4H3,(H,46,49)(H,48,58)(H,50,53)(H,51,56)(H,52,57)/p+1/t29-,35-,36-,39+,40-,41+,42+/m0/s1
Synonyms:	U75875
Definition date:	2008-08-26
Last modified:	2020-06-17
Identifier:	4-[(2S)-3-{[(1S,2R,3R,4R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-4-({(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]butyl}carbamoyl)hexyl]amino}-2-{[(naphthalen-1-yloxy)acetyl]amino}-3-oxopropyl]-1H-imidazol-3-ium

20A

20A
Name:	1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
Formula:	C21 H25 N5 O2
SMILES:	O=C(NCc1ccccc1)c2c(c3c(nc2)n(nc3)CC)NC4CCOCC4
InChi:	InChI=1S/C21H25N5O2/c1-2-26-20-17(14-24-26)19(25-16-8-10-28-11-9-16)18(13-22-20)21(27)23-12-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,22,25)(H,23,27)
Synonyms:	N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
Definition date:	2008-05-17
Last modified:	2020-06-17
Identifier:	N-benzyl-1-ethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

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