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PT5

PT5
Name:	[(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Formula:	C47 H85 O19 P3
SMILES:	CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
InChi:	InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11?,19-17?,24-22-,30-28?/t39-,42-,43+,44+,45-,46-,47-/m1/s1
Synonyms:	Phosphatidylinositol 4,5-bisphosphate
Definition date:	2009-04-22
Last modified:	2020-06-17
Identifier:	[(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{R},5~{R},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (8~{Z})-icosa-5,8,11,14-tetraenoate

PVN

PVN
Name:	PHYCOVIOLOBILIN
Formula:	C33 H40 N4 O6
SMILES:	CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H40N4O7/c1-7-20-15(2)25(36-33(20)44)12-23-16(3)21(8-10-29(39)40)26(34-23)14-27-22(9-11-30(41)42)17(4)24(35-27)13-28-31(19(6)38)18(5)32(43)37-28/h12,14,19,28,35,38H,7-11,13H2,1-6H3,(H,36,44)(H,37,43)(H,39,40)(H,41,42)/b25-12+,26-14-/t19?,28-/m1/s1
Synonyms:	Phycoviolobilin, bound form
Definition date:	2006-11-02
Last modified:	2020-06-17
Identifier:	3-[5-[[(2R)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

QFJ

QFJ
Name:	propionylthiocholine
Formula:	C8 H18 N O S
SMILES:	C[N+](C)(C)CCSC(CC)=O
InChi:	InChI=1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
Synonyms:	N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium
Definition date:	2019-10-22
Last modified:	2020-06-17
Release date:	2020-05-13
Identifier:	N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium

QI9

QI9
Name:	Quinine
Formula:	C20 H24 N2 O2
SMILES:	O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C
InChi:	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
Synonyms:	(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol
Definition date:	2014-10-15
Last modified:	2020-06-17
Release date:	2015-01-14
Identifier:	(3alpha,8alpha,9R)-6'-methoxycinchonan-9-ol

QPP

QPP
Name:	N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE
Formula:	C18 H15 N5
SMILES:	n2c(Nc1nnc(c1)C)c4ccccc4nc2c3ccccc3
InChi:	InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
Synonyms:	5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE
Definition date:	2006-12-19
Last modified:	2020-06-17
Identifier:	N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine

DB8

DB8
Name:	4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Formula:	C26 H29 Cl2 N5 O3
SMILES:	Clc1c(OC)cc(c(Cl)c1)Nc4c(C#N)cnc3cc(OCCCN2CCN(CC2)C)c(OC)cc34
InChi:	InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
Synonyms:	Bosutinib
Definition date:	2011-07-18
Last modified:	2020-06-17
Identifier:	4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

DDJ

DDJ
Name:	3,3'-dimethoxybiphenyl-4,4'-diamine
Formula:	C14 H16 N2 O2
SMILES:	O(c1cc(ccc1N)c2ccc(N)c(OC)c2)C
InChi:	InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3
Synonyms:	o-Dianisidine
Definition date:	2011-12-12
Last modified:	2020-06-17
Release date:	2012-11-30
Identifier:	3,3'-dimethoxybiphenyl-4,4'-diamine

DEQ

DEQ
Name:	DEQUALINIUM
Formula:	C30 H40 N4
SMILES:	c12ccccc1c(cc([n+]2CCCCCCCCCC[n+]4c3ccccc3c(N)cc4C)C)N
InChi:	InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2
Synonyms:	DEQUADIN
Definition date:	2001-08-30
Last modified:	2020-06-17
Identifier:	1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium)

DFK

DFK
Name:	D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE
Formula:	C21 H34 N6 O3
SMILES:	O=C(NC(CCCNC(=[N@H])N)C(O)C)C2N(C(=O)C(N)Cc1ccccc1)CCC2
InChi:	InChI=1S/C21H34N6O3/c1-14(28)17(9-5-11-25-21(23)24)26-19(29)18-10-6-12-27(18)20(30)16(22)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-18,28H,5-6,9-13,22H2,1H3,(H,26,29)(H4,23,24,25)/t14?,16-,17+,18+/m1/s1
Synonyms:	D-PHENYLALANYL-PROLYL-ARGINYL-CHLOROMETHANE
Definition date:	2006-02-03
Last modified:	2020-06-17
Identifier:	D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(1R)-1-hydroxyethyl]butyl}-L-prolinamide

DFQ

DFQ
Name:	(2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide
Formula:	C21 H17 Cl2 F N2 O2
SMILES:	Clc1ccc(F)c(Cl)c1C(Oc2ccc3ncc(cc3c2)C=CC(=O)NC)C
InChi:	InChI=1S/C21H17Cl2FN2O2/c1-12(20-16(22)5-6-17(24)21(20)23)28-15-4-7-18-14(10-15)9-13(11-26-18)3-8-19(27)25-2/h3-12H,1-2H3,(H,25,27)/b8-3+/t12-/m1/s1
Synonyms:	(E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-quinolin-3-yl}-n-methyl-acrylamide
Definition date:	2009-07-14
Last modified:	2020-06-17
Identifier:	(2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide

DH4

DH4
Name:	2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C15 H25 N3 O3 S
SMILES:	O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O
InChi:	InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1
Synonyms:	Mecillinam, bound form
Definition date:	2010-06-25
Last modified:	2020-06-17
Identifier:	2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

R1A

R1A
Name:	3-{[(2,2,5,5-TETRAMETHYL-1-OXO-2,5-DIHYDRO-1H-PYRROLIUM-3-YL)METHYL]DISULFANYL}-D-ALANINE
Formula:	C12 H21 N2 O3 S2
SMILES:	O=C(O)C(N)CSSCC1=CC([N+](=O)C1(C)C)(C)C
InChi:	InChI=1S/C12H20N2O3S2/c1-11(2)5-8(12(3,4)14(11)17)6-18-19-7-9(13)10(15)16/h5,9H,6-7,13H2,1-4H3/p+1/t9-/m0/s1
Synonyms:	S-(THIOMETHYL-3-[2,2,5,5-TETRAMETHYL PYRROLINE-1-OXYL]) CYSTEINE
Definition date:	2005-06-03
Last modified:	2020-06-17
Identifier:	3-{[(2,2,5,5-tetramethyl-1-oxo-2,5-dihydro-1H-pyrrolium-3-yl)methyl]disulfanyl}-L-alanine

R39

R39
Name:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
Formula:	C27 H35 N5 O3
SMILES:	O=C(Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C)Nc4ccc(OCCN3CCOCC3)cc4
InChi:	InChI=1S/C27H35N5O3/c1-20-5-9-22(10-6-20)32-25(19-24(30-32)27(2,3)4)29-26(33)28-21-7-11-23(12-8-21)35-18-15-31-13-16-34-17-14-31/h5-12,19H,13-18H2,1-4H3,(H2,28,29,33)
Synonyms:	1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)phenyl)urea
Definition date:	2009-06-17
Last modified:	2020-06-17
Identifier:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea

IMB

IMB
Name:	[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
Formula:	C10 H12 N2 O6 P2
SMILES:	O=P(O)(O)C(Nc2nccc1ccccc12)P(=O)(O)O
InChi:	InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18)
Synonyms:	(3-ISOQUINOLYLAMINE) METHYLENE-1,1-BISPHOSPHONATE
Definition date:	2004-04-20
Last modified:	2020-06-17
Identifier:	[(isoquinolin-1-ylamino)methanediyl]bis(phosphonic acid)

IQP

IQP
Name:	1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE
Formula:	C14 H17 N3 O2 S
SMILES:	O=S(=O)(c2c1ccncc1ccc2)N3C(C)CNCC3
InChi:	InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m0/s1
Synonyms:	H-7
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	5-{[(2S)-2-methylpiperazin-1-yl]sulfonyl}isoquinoline

IQS

IQS
Name:	N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE
Formula:	C12 H15 N3 O2 S
SMILES:	O=S(=O)(c1cccc2c1ccnc2)NCCNC
InChi:	InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3
Synonyms:	H-8
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide

IRB

IRB
Name:	(2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid
Formula:	C17 H10 Br N3 O4
SMILES:	ON=C1C(Nc2ccc(cc12)C(O)=O)=C3C(=O)Nc4c(Br)cccc34
InChi:	InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,19,25H,(H,20,22)(H,23,24)/b15-12-,21-14+
Synonyms:	Indirubin-3'-monoxime derivative, (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-[2,3'-biindolinylidene]-5-carboxylic acid
Definition date:	2009-12-01
Last modified:	2020-06-17
Identifier:	(2Z,3E)-2-(7-bromo-2-oxo-1H-indol-3-ylidene)-3-hydroxyimino-1H-indole-5-carboxylic acid

R5B

R5B
Name:	RUTHENIUM WIRE WC5
Formula:	C45 H61 N7 O Ru
SMILES:	O(c1cccc(N(C)C)c1)CCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10
InChi:	InChI=1S/C25H27N3O.C10H18N2.C10H16N2.Ru/c1-28(2)21-10-6-11-22(18-21)29-17-5-3-4-8-19-14-16-27-25-23(19)13-12-20-9-7-15-26-24(20)25
Synonyms:	BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[5-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)PEN TYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM
Definition date:	2006-02-21
Last modified:	2020-06-17
Identifier:	[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[5-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)pentyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium

R6A

R6A
Name:	RUTHENIUM WIRE, 6 CARBON LINKER
Formula:	C46 H63 N7 O Ru
SMILES:	O(c1cccc(N(C)C)c1)CCCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10
InChi:	InChI=1S/C26H29N3O.C10H18N2.C10H16N2.Ru/c1-29(2)22-11-7-12-23(19-22)30-18-6-4-3-5-9-20-15-17-28-26-24(20)14-13-21-10-8-16-27-25(21)26
Synonyms:	BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[6-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)HEX YL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM
Definition date:	2006-02-22
Last modified:	2020-06-17
Identifier:	[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[6-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)hexyl]oxy}-N,N-dimethylanilinato(2-)][(6R)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium

R7U

R7U
Name:	RUTHENIUM WIRE, 7 CARBON LINKER
Formula:	C47 H65 N7 O Ru
SMILES:	O(c1cccc(N(C)C)c1)CCCCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10
InChi:	InChI=1S/C27H31N3O.C10H18N2.C10H16N2.Ru/c1-30(2)23-12-8-13-24(20-23)31-19-7-5-3-4-6-10-21-16-18-29-27-25(21)15-14-22-11-9-17-28-26(22)27
Synonyms:	BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[7-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)HEP TYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM
Definition date:	2006-02-24
Last modified:	2020-06-17
Identifier:	[(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[7-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)heptyl]oxy}-N,N-dimethylanilinato(2-)][(6R)-6-[(2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium

R9A

R9A
Name:	RUTHENIUM WIRE, 9 CARBON LINKER
Formula:	C49 H69 N7 O Ru
SMILES:	O(c1cccc(N(C)C)c1)CCCCCCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10
InChi:	InChI=1S/C29H35N3O.C10H18N2.C10H16N2.Ru/c1-32(2)25-14-10-15-26(22-25)33-21-9-7-5-3-4-6-8-12-23-18-20-31-29-27(23)17-16-24-13-11-19-30-28(24)29
Synonyms:	BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[9-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)NON YL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM
Definition date:	2006-02-27
Last modified:	2020-06-17
Identifier:	[(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[9-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)nonyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium

RA4

RA4
Name:	N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE
Formula:	C23 H35 N7 O5
SMILES:	O=C(NCCCCNC(=[N@H])N)C2N(C(=O)C(NC(=O)c1ccc([N+]([O-])=O)cc1)CC(C)C)CCC2
InChi:	InChI=1S/C23H35N7O5/c1-15(2)14-18(28-20(31)16-7-9-17(10-8-16)30(34)35)22(33)29-13-5-6-19(29)21(32)26-11-3-4-12-27-23(24)25/h7-10,15,18-19H,3-6,11-14H2,1-2H3,(H,26,32)(H,28,31)(H4,24,25,27)/t18-,19-/m0/s1
Synonyms:	1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE
Definition date:	2005-02-03
Last modified:	2020-06-17
Identifier:	N-(4-nitrobenzoyl)-L-leucyl-N-(4-carbamimidamidobutyl)-L-prolinamide

RA8

RA8
Name:	N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE
Formula:	C23 H38 N6 O4 S
SMILES:	O=C(NCCCCNC(=[N@H])N)C2N(C(=O)C(NS(=O)(=O)Cc1ccccc1)CC(C)C)CCC2
InChi:	InChI=1S/C23H38N6O4S/c1-17(2)15-19(28-34(32,33)16-18-9-4-3-5-10-18)22(31)29-14-8-11-20(29)21(30)26-12-6-7-13-27-23(24)25/h3-5,9-10,17,19-20,28H,6-8,11-16H2,1-2H3,(H,26,30)(H4,24,25,27)/t19-,20-/m0/s1
Synonyms:	1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE
Definition date:	2005-02-03
Last modified:	2020-06-17
Identifier:	N-(benzylsulfonyl)-L-leucyl-N-(4-carbamimidamidobutyl)-L-prolinamide

REN

REN
Name:	(S)-reticuline
Formula:	C19 H23 N O4
SMILES:	O(c1ccc(cc1O)CC3c2c(cc(OC)c(O)c2)CCN3C)C
InChi:	InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1
Synonyms:	(1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Definition date:	2008-06-04
Last modified:	2020-06-17
Identifier:	(1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

RJ6

RJ6
Name:	N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide
Formula:	C10 H15 N5 O2
SMILES:	O(c1cc(cc(OC)c1)NC(=[N@H])NC(=[N@H])N)C
InChi:	InChI=1S/C10H15N5O2/c1-16-7-3-6(4-8(5-7)17-2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)
Synonyms:	{[(3,5-dimethoxyanilino)(imino)methyl]amino}methanimidamide
Definition date:	2008-06-17
Last modified:	2020-06-17
Identifier:	N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide

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