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PDB Info pages Status search Chemie search: 7222 results BIRD

PDT

PDT
Name:	1,3-PROPANEDITHIOL
Formula:	C3 H8 S2
SMILES:	SCCCS
InChi:	InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	propane-1,3-dithiol

PEB

PEB
Name:	PHYCOERYTHROBILIN
Formula:	C33 H40 N4 O6
SMILES:	CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
InChi:	InChI=1S/C33H40N4O6/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/h8,14-15,19-20,26,34H,2,7,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,29-15-/t19-,20-,26-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-2-ylidene]methyl]-5-[[(2R)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

PEC

PEC
Name:	S,S-PENTYLTHIOCYSTEINE
Formula:	C8 H17 N O2 S2
SMILES:	O=C(O)C(N)CSSCCCCC
InChi:	InChI=1S/C8H17NO2S2/c1-2-3-4-5-12-13-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-(pentyldisulfanyl)-L-alanine

PEM

PEM
Name:	2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID
Formula:	C19 H20 Cl N O4
SMILES:	O=C(c1ccc(Cl)cc1)NCCc2ccc(OC(C(=O)O)(C)C)cc2
InChi:	InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
Definition date:	2002-05-24
Last modified:	2011-06-04
Identifier:	2-[4-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)phenoxy]-2-methylpropanoic acid

PEQ

PEQ
Name:	L-PHOSPHOLACTATE
Formula:	C3 H7 O6 P
SMILES:	O=C(O)C(OP(=O)(O)O)C
InChi:	InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1
Definition date:	2001-06-18
Last modified:	2011-06-04
Identifier:	(2S)-2-(phosphonooxy)propanoic acid

PEY

PEY
Name:	PHENANTHRENE
Formula:	C14 H10
SMILES:	c3cc2ccc1ccccc1c2cc3
InChi:	InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
Definition date:	2006-07-12
Last modified:	2011-06-04
Identifier:	phenanthrene

PFI

PFI
Name:	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE
Formula:	C21 H27 F O4
SMILES:	Fc1c(OC(C)C)ccc(c1)CCC2(OC(=O)C=C(O)C2)C3CCCC3
InChi:	InChI=1S/C21H27FO4/c1-14(2)25-19-8-7-15(11-18(19)22)9-10-21(16-5-3-4-6-16)13-17(23)12-20(24)26-21/h7-8,11-12,14,16,23H,3-6,9-10,13H2,1-2H3/t21-/m0/s1
Definition date:	2006-06-14
Last modified:	2011-06-04
Identifier:	(6S)-6-cyclopentyl-6-{2-[3-fluoro-4-(1-methylethoxy)phenyl]ethyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one

PG3

PG3
Name:	GUANIDINE-3-PROPANOL
Formula:	C4 H12 N3 O
SMILES:	OCCCNC(=[NH2+])N
InChi:	InChI=1S/C4H11N3O/c5-4(6)7-2-1-3-8/h8H,1-3H2,(H4,5,6,7)/p+1
Definition date:	2004-01-22
Last modified:	2011-06-04
Identifier:	amino[(3-hydroxypropyl)amino]methaniminium

PGO

PGO
Name:	S-1,2-PROPANEDIOL
Formula:	C3 H8 O2
SMILES:	OCC(O)C
InChi:	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-propane-1,2-diol

PGR

PGR
Name:	R-1,2-PROPANEDIOL
Formula:	C3 H8 O2
SMILES:	OCC(O)C
InChi:	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
Definition date:	2000-12-22
Last modified:	2011-06-04
Identifier:	(2R)-propane-1,2-diol

PH0

PH0
Name:	N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine
Formula:	C27 H31 N2 O5 P
SMILES:	O=C(O)C(NC(=O)C(Cc1ccccc1)CP(=O)(O)C(N)Cc2ccccc2)Cc3ccccc3
InChi:	InChI=1S/C27H31N2O5P/c28-25(18-22-14-8-3-9-15-22)35(33,34)19-23(16-20-10-4-1-5-11-20)26(30)29-24(27(31)32)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19,28H2,(H,29,30)(H,31,32)(H,33,34)/t23-,24+,25-/m1/s1
Definition date:	2007-10-18
Last modified:	2011-06-04
Identifier:	N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine

PH9

PH9
Name:	(2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID
Formula:	C26 H28 Br N O4
SMILES:	Brc5ccccc5Oc1ccc(cc1)CC(C(=O)O)NC(=O)C24CC3CC(CC(C2)C3)C4
InChi:	InChI=1S/C26H28BrNO4/c27-21-3-1-2-4-23(21)32-20-7-5-16(6-8-20)12-22(24(29)30)28-25(31)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,17-19,22H,9-15H2,(H,28,31)(H,29,30)/t17-,18+,19-,22?,26+
Definition date:	2005-03-18
Last modified:	2011-06-04
Identifier:	O-(2-bromophenyl)-N-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]-D-tyrosine

7Z5

7Z5
Name:	5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid
Formula:	C17 H19 N3 O3
SMILES:	CCC(=O)Nc1ccc(cc1C(O)=O)N(C)Cc2cccnc2
InChi:	InChI=1S/C17H19N3O3/c1-3-16(21)19-15-7-6-13(9-14(15)17(22)23)20(2)11-12-5-4-8-18-10-12/h4-10H,3,11H2,1-2H3,(H,19,21)(H,22,23)
Definition date:	2009-12-03
Last modified:	2011-06-04
Identifier:	5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid

PHY

PHY
Name:	1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID
Formula:	C6 H15 N O7 P2
SMILES:	O=P(OP(=O)(O)O)(C(N)C)CC(C(=O)O)C
InChi:	InChI=1S/C6H15NO7P2/c1-4(6(8)9)3-15(10,5(2)7)14-16(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-,15+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R)-3-[(R)-[(1S)-1-aminoethyl](phosphonooxy)phosphoryl]-2-methylpropanoic acid

PI9

PI9
Name:	(10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE
Formula:	C32 H48 N4 O6 S
SMILES:	O=S(=O)(c1ccc(N)cc1)N(CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCCCOc2ccc(cc2)C3)C(C)C
InChi:	InChI=1S/C32H48N4O6S/c1-22(2)17-18-36(43(40,41)27-15-11-25(33)12-16-27)21-29(37)28-20-24-9-13-26(14-10-24)42-19-7-5-6-8-30(38)35-31(23(3)4)32(39)34-28/h9-16,22-23,28-29,31,37H,5-8,17-21,33H2,1-4H3,(H,34,39)(H,35,38)/t28-,29+,31-/m0/s1
Definition date:	1999-10-07
Last modified:	2011-06-04
Identifier:	4-amino-N-{(2R)-2-hydroxy-2-[(10S,13S)-10-(1-methylethyl)-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide

PII

PII
Name:	2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE
Formula:	C42 H81 O13 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(OC1C(O)C(O)C(O)C(O)C1O)O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C42H81O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)54-34(33-53-56(50,51)55-42-40(48)38(46)37(45)39(47)41(42)49)32-52-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,37-42,45-49H,3-33H2,1-2H3,(H,50,51)/t34-,37-,38-,39+,40-,41-,42-/m1/s1
Definition date:	2002-05-24
Last modified:	2011-06-04
Identifier:	(1R)-2-(hexadecanoyloxy)-1-({[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}methyl)ethyl heptadecanoate

BNA

BNA
Name:	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID
Formula:	C24 H20 O2
SMILES:	O=C(O)C(Cc2c1ccccc1ccc2)Cc4cccc3ccccc34
InChi:	InChI=1S/C24H20O2/c25-24(26)21(15-19-11-5-9-17-7-1-3-13-22(17)19)16-20-12-6-10-18-8-2-4-14-23(18)20/h1-14,21H,15-16H2,(H,25,26)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoic acid

BNE

BNE
Name:	2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE
Formula:	C28 H33 N5 O2
SMILES:	O=C1N(C)CCCCC1(c4cc(Oc2c(C#N)ccc(c2)C(N)(c3cncn3C)C)ccc4)CC
InChi:	InChI=1S/C28H33N5O2/c1-5-28(13-6-7-14-32(3)26(28)34)22-9-8-10-23(15-22)35-24-16-21(12-11-20(24)17-29)27(2,30)25-18-31-19-33(25)4/h8-12,15-16,18-19H,5-7,13-14,30H2,1-4H3/t27-,28-/m0/s1
Definition date:	2002-10-24
Last modified:	2011-06-04
Identifier:	4-[(1S)-1-amino-1-(1-methyl-1H-imidazol-5-yl)ethyl]-2-{3-[(3S)-3-ethyl-1-methyl-2-oxoazepan-3-yl]phenoxy}benzonitrile

BNH

BNH
Name:	[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID
Formula:	C36 H51 N5 O9
SMILES:	O=C(NC(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)CC2CC2)CC3CC3)C(NC(=O)OCC(C)C)C4CCCCC4
InChi:	InChI=1S/C36H51N5O9/c1-21(2)20-50-36(49)41-29(24-9-5-3-6-10-24)33(45)39-27(18-23-15-16-23)32(44)38-26(17-22-13-14-22)31(43)34(46)37-19-28(42)40-30(35(47)48)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26-27,29-30H,3,5-6,9-10,13-20H2,1-2H3,(H,37,46)(H,38,44)(H,39,45)(H,40,42)(H,41,49)(H,47,48)/t26-,27-,29-,30-/m0/s1
Definition date:	2005-07-27
Last modified:	2011-06-04
Identifier:	(2S)-({N-[(3S)-3-({N-[(2S)-2-cyclohexyl-2-{[(2-methylpropoxy)carbonyl]amino}acetyl]-3-cyclopropyl-L-alanyl}amino)-4-cyclopropyl-2-oxobutanoyl]glycyl}amino)(phenyl)ethanoic acid

BNN

BNN
Name:	ACETYL-P-AMIDINOPHENYLALANINE
Formula:	C12 H15 N3 O3
SMILES:	O=C(O)C(NC(=O)C)Cc1ccc(cc1)C(=[N@H])N
InChi:	InChI=1S/C12H15N3O3/c1-7(16)15-10(12(17)18)6-8-2-4-9(5-3-8)11(13)14/h2-5,10H,6H2,1H3,(H3,13,14)(H,15,16)(H,17,18)/t10-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	N-acetyl-4-carbamimidoyl-L-phenylalanine

819

819
Name:	ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate
Formula:	C21 H24 N4 O4 S
SMILES:	O=C(OCC)NCc3ccc(n1c(nnc1S)c2cc(c(O)cc2O)C(C)C)cc3
InChi:	InChI=1S/C21H24N4O4S/c1-4-29-21(28)22-11-13-5-7-14(8-6-13)25-19(23-24-20(25)30)16-9-15(12(2)3)17(26)10-18(16)27/h5-10,12,26-27H,4,11H2,1-3H3,(H,22,28)(H,24,30)
Definition date:	2009-05-21
Last modified:	2011-06-04
Identifier:	ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate

235

235
Name:	(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
Formula:	C20 H27 N2 O6 P S
SMILES:	O=S(=O)(c1ccccc1)NC(C(C)C)P(=O)(O)CC(c2cccc(c2)CN)C(=O)O
InChi:	InChI=1S/C20H27N2O6PS/c1-14(2)19(22-30(27,28)17-9-4-3-5-10-17)29(25,26)13-18(20(23)24)16-8-6-7-15(11-16)12-21/h3-11,14,18-19,22H,12-13,21H2,1-2H3,(H,23,24)(H,25,26)/t18-,19+/m0/s1
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-hydroxy{(1R)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acid

23C

23C
Name:	2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Formula:	C22 H15 N O6
SMILES:	O=C(O)C(N2C(=O)c1ccc(cc1C2=O)C(=O)O)Cc4c3ccccc3ccc4
InChi:	InChI=1S/C22H15NO6/c24-19-16-9-8-14(21(26)27)10-17(16)20(25)23(19)18(22(28)29)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10,18H,11H2,(H,26,27)(H,28,29)/t18-/m1/s1
Definition date:	2007-12-17
Last modified:	2011-06-04
Identifier:	2-[(1R)-1-carboxy-2-naphthalen-1-ylethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

23I

23I
Name:	N-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-2-METHYLPROPYL}AMINO)-4-METHYL-5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
Formula:	C36 H55 N5 O7 S
SMILES:	O=S(=O)(N(c1cc(cc(c1)C(=O)NC(c2ccccc2)C)C(=O)NC(CC(C)C)C(O)CC(C(=O)NC(C(=O)NC(C)C)C(C)C)C)C)C
InChi:	InChI=1S/C36H55N5O7S/c1-21(2)16-30(31(42)17-24(7)33(43)40-32(22(3)4)36(46)37-23(5)6)39-35(45)28-18-27(19-29(20-28)41(9)49(10,47)48)34(44)38-25(8)26-14-12-11-13-15-26/h11-15,18-25,30-32,42H,16-17H2,1-10H3,(H,37,46)(H,38,44)(H,39,45)(H,40,43)/t24-,25-,30+,31+,32+/m1/s1
Definition date:	2007-04-13
Last modified:	2011-06-04
Identifier:	N-[(1S,2S,4R)-2-hydroxy-4-methyl-5-({(1S)-2-methyl-1-[(1-methylethyl)carbamoyl]propyl}amino)-1-(2-methylpropyl)-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

23N

23N
Name:	(2R)-2-benzyl-3-nitropropanoic acid
Formula:	C10 H11 N O4
SMILES:	[O-][N+](=O)CC(C(=O)O)Cc1ccccc1
InChi:	InChI=1S/C10H11NO4/c12-10(13)9(7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/t9-/m1/s1
Definition date:	2007-10-03
Last modified:	2011-06-04
Identifier:	(2R)-2-benzyl-3-nitropropanoic acid

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