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PDB Info pages Status search Chemie search: 5225 results BIRD

2ZE

2ZE
Name:	(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale ne-3,9-diol
Formula:	C20 H34 O4
SMILES:	OCC4(O)C3CC2C(C1(C(C(C)(CO)C(O)CC1)CC2)C)(C3)CC4
InChi:	InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
Synonyms:	Aphidicolin
Definition date:	2014-05-01
Last modified:	2020-06-17
Release date:	2014-11-26
Identifier:	(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol

11U

11U
Name:	(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide
Formula:	C21 H31 N5 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CNC2CCCCC2)CCC3
InChi:	InChI=1S/C21H31N5O2/c22-20(23)16-10-8-15(9-11-16)13-25-21(28)18-7-4-12-26(18)19(27)14-24-17-5-2-1-3-6-17/h8-11,17-18,24H,1-7,12-14H2,(H3,22,23)(H,25,28)/t18-/m0/s1
Synonyms:	(2S)-1-[cyclohexylamino)acetyl-N-{4-[amino(imino)methyl]benzyl}pyrrolidine-2-carboxamide
Definition date:	2007-12-04
Last modified:	2020-06-17
Identifier:	N-cyclohexylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

12Q

12Q
Name:	1-METHYLQUINOLIN-2(1H)-ONE
Formula:	C10 H9 N O
SMILES:	O=C2C=Cc1c(cccc1)N2C
InChi:	InChI=1S/C10H9NO/c1-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
Synonyms:	1-METHYL-2-QUINOLONE
Definition date:	2005-11-29
Last modified:	2020-06-17
Identifier:	1-methylquinolin-2(1H)-one

155

155
Name:	6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-3,4-DIHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE
Formula:	C24 H24 N4 O
SMILES:	O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc4ccc3c(C(=NCC3)C(C)C)c4
InChi:	InChI=1S/C24H24N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14H,9-10H2,1-2H3,(H3,25,26)(H,28,29)
Synonyms:	6-[N-(1-ISOPROPYL-3,4-DIHYDRO-7-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE
Definition date:	2003-04-09
Last modified:	2020-06-17
Identifier:	6-carbamimidoyl-N-[1-(1-methylethyl)-3,4-dihydroisoquinolin-7-yl]naphthalene-2-carboxamide

15U

15U
Name:	(2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid
Formula:	C23 H36 N6 O5 S
SMILES:	O=C(N1C(C(=O)O)CC(C)CC1)C(NS(=O)(=O)c3cccc2c3NCC(C)C2)CCCNC(=[N@H])N
InChi:	InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15+,17+,18-/m1/s1
Synonyms:	S-argatroban
Definition date:	2012-10-16
Last modified:	2020-06-17
Release date:	2013-03-13
Identifier:	(2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid

34G

34G
Name:	emetine
Formula:	C29 H40 N2 O4
SMILES:	O(c1cc2c(cc1OC)C(NCC2)CC5CC4c3c(cc(OC)c(OC)c3)CCN4CC5CC)C
InChi:	InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m1/s1
Synonyms:	(3beta,14beta)-6',7',10,11-tetramethoxyemetan
Definition date:	2014-06-16
Last modified:	2020-06-17
Release date:	2014-07-16
Identifier:	(3beta,14beta)-6',7',10,11-tetramethoxyemetan

356

356
Name:	8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione
Formula:	C25 H28 N8 O2
SMILES:	O=C2N(c1nc(n(c1C(=O)N2Cc4nc3ccccc3c(n4)C)CC#CC)N5CCCC(N)C5)C
InChi:	InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
Synonyms:	Linagliptin
Definition date:	2007-10-10
Last modified:	2020-06-17
Identifier:	8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione

LAP

LAP
Name:	[2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM
Formula:	C20 H43 N O7 P
SMILES:	O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC
InChi:	InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1
Synonyms:	L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL
Definition date:	2002-09-02
Last modified:	2020-06-17
Identifier:	4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide

LAX

LAX
Name:	EICOSA-8,11,14-TRIENOIC ACID
Formula:	C20 H34 O2
SMILES:	O=C(O)CCCCCCC=C/CC=C/CC=C/CCCCC
InChi:	InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
Synonyms:	DIHOMO-GAMMA-LINOLENIC ACID
Definition date:	2000-08-10
Last modified:	2020-06-17
Identifier:	(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid

18L

18L
Name:	(2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z)-octadeca-9,12-dienoate
Formula:	C21 H39 O7 P
SMILES:	O=P(OCC(O)COC(=O)CCCCCCCC=C/CC=C/CCCCC)(O)O
InChi:	InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-/t20-/m1/s1
Synonyms:	D (+)-sn-1-O-linoleoyl-glyceryl-3-phosphate
Definition date:	2011-01-26
Last modified:	2020-06-17
Identifier:	(2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z)-octadeca-9,12-dienoate

18N

18N
Name:	1H-benzo[de]isoquinoline-1,3(2H)-dione
Formula:	C12 H7 N O2
SMILES:	O=C2c1c3c(ccc1)cccc3C(=O)N2
InChi:	InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
Synonyms:	1,8-NAPHTHALIMIDE
Definition date:	2008-10-28
Last modified:	2020-06-17
Identifier:	1H-benzo[de]isoquinoline-1,3(2H)-dione

LBN

LBN
Name:	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
Formula:	C42 H82 N O8 P
SMILES:	C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O
InChi:	InChI=1S/C42H82NO8P/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/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
Synonyms:	(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Definition date:	2013-02-14
Last modified:	2020-06-17
Release date:	2020-01-08
Identifier:	(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate

LBV

LBV
Name:	3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid
Formula:	C33 H37 N4 O6
SMILES:	CC=C1[CH](C)C(=O)NC1=Cc2[nH]c(C=C3[NH+]=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C
InChi:	InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p+1/b20-7+,26-13-,27-14-,28-15-/t19-/m0/s1
Synonyms:	2(R),3(E)- PHYTOCHROMOBILIN
Definition date:	2006-12-22
Last modified:	2020-06-17
Identifier:	3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

LEV

LEV
Name:	4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide
Formula:	C21 H19 Cl N4 O4
SMILES:	COc2cc1nccc(c1cc2C(N)=O)Oc3cc(c(cc3)NC(=O)NC4CC4)Cl
InChi:	InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
Synonyms:	lenvatinib
Definition date:	2014-09-26
Last modified:	2020-06-17
Release date:	2015-05-27
Identifier:	4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide

1C9

1C9
Name:	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
Formula:	C24 H25 Cl F N5 O2
SMILES:	Fc1ccc(cc1Cl)Nc4ncnc2c4cc(c(OC)c2)NC(=O)/C=C/CN3CCCCC3
InChi:	InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
Synonyms:	Dacomitinib
Definition date:	2012-12-03
Last modified:	2020-06-17
Release date:	2013-01-11
Identifier:	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide

LGP

LGP
Name:	N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE
Formula:	C9 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC(OCn1c2N=C(NC(=O)c2nc1)N)CO
InChi:	InChI=1S/C9H14N5O7P/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-20-5(1-15)2-21-22(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)/t5-/m0/s1
Synonyms:	LINEAR DECARBON-C2* GUANOSINE-5'-MONOPHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(2S)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl dihydrogen phosphate

BCZ

BCZ
Name:	3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID
Formula:	C15 H28 N4 O4
SMILES:	O=C(O)C1CC(NC(=[N@H])N)C(C(NC(=O)C)C(CC)CC)C1O
InChi:	InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
Synonyms:	BCX-1812
Definition date:	2002-03-18
Last modified:	2020-06-17
Identifier:	(1S,2S,3R,4R)-3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-carbamimidamido-2-hydroxycyclopentanecarboxylic acid

1FA

1FA
Name:	[(7-{[2-(3-MORPHOLIN-4-YLPROP-1-YN-1-YL)-6-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDIN-4-YL]THIO}-2,3-DIHYDRO-1H-INDEN- 4-YL)OXY]ACETIC ACID
Formula:	C32 H27 F3 N2 O4 S
SMILES:	FC(F)(F)c5ccc(C#Cc4nc(C#CCN1CCOCC1)cc(Sc2ccc(OCC(=O)O)c3c2CCC3)c4)cc5
InChi:	InChI=1S/C32H27F3N2O4S/c33-32(34,35)23-9-6-22(7-10-23)8-11-25-20-26(19-24(36-25)3-2-14-37-15-17-40-18-16-37)42-30-13-12-29(41-21-31(38)39)27-4-1-5-28(27)30/h6-7,9-10,12-13,19-20H,1,4-5,14-18,21H2,(H,38,39)
Synonyms:	{7-[2-(3-MORPHOLIN-4-YL-PROP-1-YNYL)-6-(4-TRIFLUOROMETHYL-PHENYLETHYNYL) -PYRIDIN-4-YLSULFANYL]-INDAN-4-YLOXY}-ACETIC ACID
Definition date:	2007-06-06
Last modified:	2020-06-17
Identifier:	[(7-{[2-(3-morpholin-4-ylprop-1-yn-1-yl)-6-{[4-(trifluoromethyl)phenyl]ethynyl}pyridin-4-yl]sulfanyl}-2,3-dihydro-1H-inden-4-yl)oxy]acetic acid

1FV

1FV
Name:	N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
Formula:	C26 H36 N6 O2
SMILES:	O=C(NCCCNc1nc(ncc1C2CC2)Nc3cc(ccc3)CN4CCOCC4)C5CCC5
InChi:	InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
Synonyms:	MRT67307
Definition date:	2013-01-18
Last modified:	2020-06-17
Release date:	2013-03-06
Identifier:	N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide

BEC

BEC
Name:	[5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE
Formula:	C35 H43 N3 O8
SMILES:	O=C(NC)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc2ccccc2)C(=O)NC4c3ccccc3CC4O)C(C)C
InChi:	InChI=1S/C35H43N3O8/c1-21(2)27(33(42)36-3)37-34(43)31(45-19-22-12-6-4-7-13-22)29(40)30(41)32(46-20-23-14-8-5-9-15-23)35(44)38-28-25-17-11-10-16-24(25)18-26(28)39/h4-17,21,26-32,39-41H,18-20H2,1-3H3,(H,36,42)(H,37,43)(H,38,44)/t26-,27+,28+,29-,30-,31-,32-/m1/s1
Synonyms:	INHIBITOR BEA388
Definition date:	2000-01-31
Last modified:	2020-06-17
Identifier:	(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide (non-preferred name)

BEP

BEP
Name:	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE
Formula:	C24 H34 N2 O
SMILES:	O(CC(C)C)CC(N1CCCC1)CN(c2ccccc2)Cc3ccccc3
InChi:	InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m0/s1
Synonyms:	BEPRIDIL
Definition date:	2000-01-24
Last modified:	2020-06-17
Identifier:	N-benzyl-N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline

1GA

1GA
Name:	Geraniline
Formula:	C16 H21 N
SMILES:	C2=C(CCC=C(CNc1ccc(cc1)C2)C)C
InChi:	InChI=1S/C16H21N/c1-13-4-3-5-14(2)12-17-16-10-8-15(7-6-13)9-11-16/h5-6,8-11,17H,3-4,7,12H2,1-2H3/b13-6?,14-5+
Synonyms:	(4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene
Definition date:	2012-01-31
Last modified:	2020-06-17
Identifier:	(4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene

BF0

BF0
Name:	methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate
Formula:	C25 H32 N2 O6
SMILES:	O=C(OC)CCC(=O)NC1CCC5(O)C4N(CCC52c3c(ccc(O)c3OC12)C4)CC6CC6
InChi:	InChI=1S/C25H32N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-5,14,16,18,23,28,31H,2-3,6-13H2,1H3,(H,26,29)/t16-,18-,23+,24+,25-/m1/s1
Synonyms:	beta-funaltrexamine, bound form
Definition date:	2012-02-07
Last modified:	2020-06-17
Identifier:	methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate

BFI

BFI
Name:	2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE
Formula:	C19 H11 Br F2 N2 O4
SMILES:	Brc1ccc(c(F)c1)CN4C(=O)c2ccc(F)cc2C3(C(=O)NC(=O)C3)C4=O
InChi:	InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1
Synonyms:	MINALRESTAT
Definition date:	2003-07-07
Last modified:	2020-06-17
Identifier:	(4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone

LMC

LMC
Name:	(2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal
Formula:	C18 H21 N O
SMILES:	O=CC=C(C=CC=C2N(c1ccccc1C2(C)C)C)C
InChi:	InChI=1S/C18H21NO/c1-14(12-13-20)8-7-11-17-18(2,3)15-9-5-6-10-16(15)19(17)4/h5-13H,1-4H3/b8-7+,14-12+,17-11+
Synonyms:	(2E,4E,6Z)-3-methyl-6-(1,3,3-trimethylindolin-2-ylidene)hexa-2,4-dienal
Definition date:	2008-12-09
Last modified:	2020-06-17
Identifier:	(2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal

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