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PDB Info pages Status search Chemie search: 320 results BIRD

EES

EES
Name:	3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Formula:	C13 H9 Cl N2 O2
SMILES:	Clc1c3cc(O)ccc3nn1c2ccc(O)cc2
InChi:	InChI=1S/C13H9ClN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H
Definition date:	2007-07-11
Last modified:	2011-06-04
Identifier:	3-chloro-2-(4-hydroxyphenyl)-2H-indazol-5-ol

EI1

EI1
Name:	3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Formula:	C15 H14 N2 O2
SMILES:	Oc3ccc(n2nc1ccc(O)cc1c2CC)cc3
InChi:	InChI=1S/C15H14N2O2/c1-2-15-13-9-12(19)7-8-14(13)16-17(15)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3
Definition date:	2007-06-28
Last modified:	2011-06-04
Identifier:	3-ethyl-2-(4-hydroxyphenyl)-2H-indazol-5-ol

FEA

FEA
Name:	MONOAZIDO-MU-OXO-DIIRON
Formula:	Fe2 N3 O
SMILES:	[Fe]O[Fe]N=[N+]=[N-]
InChi:	InChI=1S/2Fe.N3.O/c
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	azidoferriooxyiron

GHC

GHC
Name:	N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid
Formula:	C20 H20 N4 O6 S2
SMILES:	O=C(O)C(NC(=O)c3ccc(Sc1c(sc2N=C(NC(=O)c12)N)CC)cc3)CCC(=O)O
InChi:	InChI=1S/C20H20N4O6S2/c1-2-12-15(14-17(28)23-20(21)24-18(14)32-12)31-10-5-3-9(4-6-10)16(27)22-11(19(29)30)7-8-13(25)26/h3-6,11H,2,7-8H2,1H3,(H,22,27)(H,25,26)(H,29,30)(H3,21,23,24,28)/t11-/m0/s1
Definition date:	2009-03-04
Last modified:	2011-06-04
Identifier:	N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid

GHW

GHW
Name:	N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid
Formula:	C19 H18 N4 O6 S2
SMILES:	O=C(O)C(NC(=O)c3ccc(Sc1c(sc2N=C(NC(=O)c12)N)C)cc3)CCC(=O)O
InChi:	InChI=1S/C19H18N4O6S2/c1-8-14(13-16(27)22-19(20)23-17(13)30-8)31-10-4-2-9(3-5-10)15(26)21-11(18(28)29)6-7-12(24)25/h2-5,11H,6-7H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H3,20,22,23,27)/t11-/m0/s1
Definition date:	2009-03-05
Last modified:	2011-06-04
Identifier:	N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid

GVD

GVD
Name:	[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
Formula:	C22 H19 N7
SMILES:	N#CCC5C=CC(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5
InChi:	InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16-/t14-/m0/s1
Definition date:	2007-03-08
Last modified:	2011-06-04
Identifier:	[(1S,4E)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile

HAV

HAV
Name:	HYDROXYAMINOVALINE
Formula:	C5 H12 N2 O2
SMILES:	O=C(NO)C(N)C(C)C
InChi:	InChI=1S/C5H12N2O2/c1-3(2)4(6)5(8)7-9/h3-4,9H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-hydroxy-D-valinamide

111

111
Name:	(1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-PYRROLIDINE
Formula:	C16 H25 N3 O7 S2
SMILES:	O=S(=O)(c1ccc(OCCCC)cc1)N2C(C(=O)NO)CC(NS(=O)(=O)C)C2
InChi:	InChI=1S/C16H25N3O7S2/c1-3-4-9-26-13-5-7-14(8-6-13)28(24,25)19-11-12(18-27(2,22)23)10-15(19)16(20)17-21/h5-8,12,15,18,21H,3-4,9-11H2,1-2H3,(H,17,20)/t12-,15+/m0/s1
Definition date:	2000-11-07
Last modified:	2011-06-04
Identifier:	(4S)-1-[(4-butoxyphenyl)sulfonyl]-N-hydroxy-4-[(methylsulfonyl)amino]-D-prolinamide

183

183
Name:	1-((2-HYDROXYETHOXY)METHYL)-5-(3-(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-DIONE
Formula:	C21 H22 N2 O5
SMILES:	O=C1C(=CN(C(=O)N1)COCCO)Cc3cccc(OCc2ccccc2)c3
InChi:	InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)
Definition date:	2004-08-10
Last modified:	2011-06-04
Identifier:	5-[3-(benzyloxy)benzyl]-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione

2S8

2S8
Name:	(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
Formula:	C21 H30 N2 O4
SMILES:	O=C(OC(C)(C)C)NCCCCCCC(c2c1ccccc1nc2)C(=O)O
InChi:	InChI=1S/C21H30N2O4/c1-21(2,3)27-20(26)22-13-9-5-4-6-11-16(19(24)25)17-14-23-18-12-8-7-10-15(17)18/h7-8,10,12,14,16,23H,4-6,9,11,13H2,1-3H3,(H,22,26)(H,24,25)/t16-/m0/s1
Definition date:	2008-02-08
Last modified:	2011-06-04
Identifier:	(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid

3HX

3HX
Name:	(4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE
Formula:	C8 H21 N7 O3
SMILES:	[O-][N+](=O)NC(=[N@H])NCCCC(N)CN(O)CCN
InChi:	InChI=1S/C8H21N7O3/c9-3-5-14(16)6-7(10)2-1-4-12-8(11)13-15(17)18/h7,16H,1-6,9-10H2,(H3,11,12,13)/t7-/m0/s1
Definition date:	2006-08-07
Last modified:	2011-06-04
Identifier:	1-{(4S)-4-amino-5-[(2-aminoethyl)(hydroxy)amino]pentyl}-3-nitroguanidine

3O0

3O0
Name:	{4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone
Formula:	C16 H11 Cl N4 O3 S
SMILES:	[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)Nc3ccc(Cl)cc3
InChi:	InChI=1S/C16H11ClN4O3S/c17-10-4-6-11(7-5-10)19-16-20-15(18)14(25-16)13(22)9-2-1-3-12(8-9)21(23)24/h1-8H,18H2,(H,19,20)
Definition date:	2010-07-20
Last modified:	2011-06-04
Identifier:	{4-amino-2-[(4-chlorophenyl)amino]-1,3-thiazol-5-yl}(3-nitrophenyl)methanone

621

621
Name:	N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide
Formula:	C14 H25 N3 O6
SMILES:	O=C(NC(C(=O)CO)CC(C)C)C(NC(=O)CNC(=O)C)CO
InChi:	InChI=1S/C14H25N3O6/c1-8(2)4-10(12(21)7-19)17-14(23)11(6-18)16-13(22)5-15-9(3)20/h8,10-11,18-19H,4-7H2,1-3H3,(H,15,20)(H,16,22)(H,17,23)/t10-,11-/m0/s1
Definition date:	2010-12-02
Last modified:	2011-06-04
Identifier:	N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide

6HE

6HE
Name:	6-METHY-6-DEPROPIONATEHEMIN
Formula:	C32 H30 Fe N4 O2
SMILES:	O=C(O)CCc8c(c1n5c8C=C4C(=C(C3=Cc6c(C=C)c(c7C=C2C(C=C)=C(C(=C1)N2[Fe]5(N34)n67)C)C)C)C)C
InChi:	InChI=1S/C32H30N4O2.Fe/c1-8-21-18(5)26-12-27-20(7)23(10-11-32(37)38)31(36-27)14-25-17(4)16(3)24(33-25)13-29-22(9-2)19(6)28(35-29)15-30(21)34-26
Definition date:	2007-03-29
Last modified:	2011-06-04
Identifier:	[3-(8,13-diethenyl-3,7,12,17,18-pentamethyl-22,24-dihydroporphyrin-2-yl-kappa~4~N~21~,N~22~,N~23~,N~24~)propanoato(4-)]iron

7MP

7MP
Name:	7-AMINO-1-METHYL-3-(2-METHYL-5-{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-1-IUM
Formula:	C22 H18 F3 N6 O2
SMILES:	FC(F)(F)c1cccc(c1)C(=O)Nc4cc(N3C(=O)[N+](=C2N=C(N=CC2=C3)N)C)c(cc4)C
InChi:	InChI=1S/C22H17F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-11,26H,1-2H3,(H,28,32)/p+1
Definition date:	2006-06-30
Last modified:	2011-06-04
Identifier:	7-amino-1-methyl-3-[2-methyl-5-({[3-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]-2-oxo-2,3-dihydropyrimido[4,5-d]pyrimidin-1-ium

NA2

NA2
Name:	SODIUM ION, 2 WATER COORDINATED
Formula:	H4 Na O2
SMILES:	[OH2-][Na+][OH2-]
InChi:	InChI=1/Na.2H2O/h
Definition date:	1999-09-15
Last modified:	2008-10-14

NA5

NA5
Name:	SODIUM ION, 5 WATERS COORDINATED
Formula:	H10 Na O5
SMILES:	[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2-]
InChi:	InChI=1/Na.5H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

NA6

NA6
Name:	SODIUM ION, 6 WATERS COORDINATED
Formula:	H12 Na O6
SMILES:	[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2-])[OH2-]
InChi:	InChI=1/Na.6H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

NAO

NAO
Name:	SODIUM ION, 1 WATER COORDINATED
Formula:	H2 Na O
SMILES:	[OH2-][Na+]
InChi:	InChI=1/Na.H2O/h
Definition date:	1999-07-22
Last modified:	2008-10-14

NAW

NAW
Name:	SODIUM ION, 3 WATERS COORDINATED
Formula:	H6 Na O3
SMILES:	[OH2-][Na+]([OH2-])[OH2-]
InChi:	InChI=1/Na.3H2O/h
Definition date:	1999-07-08
Last modified:	2008-10-14

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