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PDB Info pages Status search Chemie search: 167 results BIRD

MD0

MD0
Name:	5-amino-D-isoleucine
Formula:	C6 H14 N2 O2
SMILES:	O=C(O)C(N)C(CCN)C
InChi:	InChI=1S/C6H14N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m1/s1
Definition date:	2011-09-06
Last modified:	2011-11-25
Identifier:	5-amino-D-isoleucine

JM7

JM7
Name:	N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine
Formula:	C9 H19 N3 O2 S
SMILES:	O=C(O)C(N)CCCNC(=[N@H])CSCC
InChi:	InChI=1S/C9H19N3O2S/c1-2-15-6-8(11)12-5-3-4-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1
Definition date:	2009-09-15
Last modified:	2011-11-17
Identifier:	N~5~-[(1E)-2-(ethylsulfanyl)ethanimidoyl]-L-ornithine

FUZ

FUZ
Name:	2-[(furan-2-ylmethyl)amino]benzoic acid
Formula:	C12 H11 N O3
SMILES:	O=C(O)c2c(NCc1occc1)cccc2
InChi:	InChI=1S/C12H11NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15)
Definition date:	2009-09-11
Last modified:	2011-10-07
Identifier:	2-[(furan-2-ylmethyl)amino]benzoic acid

PKR

PKR
Name:	(2S)-1-methylpyrrolidine-2-carbaldehyde
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1N(C)CCC1
InChi:	InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
Definition date:	2009-07-01
Last modified:	2011-08-06
Identifier:	1-methyl-L-proline

MZX

MZX
Name:	5,8-dimethoxy-4-methylquinolin-2(1H)-one
Formula:	C12 H13 N O3
SMILES:	O=C2C=C(c1c(OC)ccc(OC)c1N2)C
InChi:	InChI=1S/C12H13NO3/c1-7-6-10(14)13-12-9(16-3)5-4-8(15-2)11(7)12/h4-6H,1-3H3,(H,13,14)
Definition date:	2010-07-01
Last modified:	2011-07-29
Identifier:	5,8-dimethoxy-4-methylquinolin-2(1H)-one

P0H

P0H
Name:	N-[(benzyloxy)carbonyl]glycyl-L-proline
Formula:	C15 H18 N2 O5
SMILES:	O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2
InChi:	InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)/t12-/m0/s1
Definition date:	2010-11-12
Last modified:	2011-07-13
Identifier:	N-[(benzyloxy)carbonyl]glycyl-L-proline

0ZY

0ZY
Name:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide
Formula:	C19 H40 B N4 O6
SMILES:	O=C(NC(B(O)OC)CCCC[NH3+])C(NC(=O)C(NC(=O)OC(C)(C)C)C)C(C)C
InChi:	InChI=1S/C19H39BN4O6/c1-12(2)15(17(26)23-14(20(28)29-7)10-8-9-11-21)24-16(25)13(3)22-18(27)30-19(4,5)6/h12-15,28H,8-11,21H2,1-7H3,(H,22,27)(H,23,26)(H,24,25)/p+1/t13-,14-,15-/m0/s1
Definition date:	2008-08-19
Last modified:	2011-07-13
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide

ONH

ONH
Name:	N~5~-hydroxy-L-ornithine
Formula:	C5 H12 N2 O3
SMILES:	O=C(O)C(N)CCCNO
InChi:	InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-7-10/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1
Definition date:	2011-06-02
Last modified:	2011-07-08
Identifier:	N~5~-hydroxy-L-ornithine

LLZ

LLZ
Name:	N~6~-[(1S)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-L-lysine
Formula:	C21 H28 N2 O4
SMILES:	O=C(O)C(N)CCCCNC(C)CC(=O)c1ccc2c(c1)ccc(OC)c2
InChi:	InChI=1S/C21H28N2O4/c1-14(23-10-4-3-5-19(22)21(25)26)11-20(24)17-7-6-16-13-18(27-2)9-8-15(16)12-17/h6-9,12-14,19,23H,3-5,10-11,22H2,1-2H3,(H,25,26)/t14-,19-/m0/s1
Definition date:	2010-06-23
Last modified:	2011-06-24
Identifier:	N~6~-[(2S)-4-(6-methoxynaphthalen-2-yl)-4-oxobutan-2-yl]-L-lysine

THZ

THZ
Name:	1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine
Formula:	C13 H17 N5 O S
SMILES:	O=C(c1nc2ccccc2s1)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine

00B

00B
Name:	(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C6 H11 N O2 S
SMILES:	O=C(O)C1NCSC1(C)C
InChi:	InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
Definition date:	2010-04-27
Last modified:	2011-06-04
Identifier:	(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

00W

00W
Name:	3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-L-erythro-hexonic acid
Formula:	C7 H16 N4 O3
SMILES:	O=C(O)C(O)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C7H16N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m0/s1
Definition date:	2010-11-12
Last modified:	2011-06-04
Identifier:	3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-L-erythro-hexonic acid

PL1

PL1
Name:	COBALT (III)-DEGLYCOPEPLEOMYCIN
Formula:	C48 H68 Co N17 O12 S2
SMILES:	O=C(N)C(N)CNC(c1nc(N)c(c([n+]1[Co]OO)C(=O)NC(C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)C)CC(=O)N
InChi:	InChI=1S/C48H67N17O10S2.Co.H2O2/c1-22-35(62-42(65-40(22)51)29(16-33(50)67)57-17-28(49)41(52)70)46(74)64-37(39(69)30-18-53-21-58-30)47(75)59-25(4)38(68)23(2)43(71)63-36(26(5)66)45(73)56-15-12-34-60-32(20-76-34)48-61-31(19-77-48)44(72)55-14-9-13-54-24(3)27-10-7-6-8-11-27
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	For multi-component charged structures, a total zero charge is required!

NLH

NLH
Name:	(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid
Formula:	C13 H27 N O4
SMILES:	O=C(O)C(CCCC)CC(O)(O)C(N)CCCC
InChi:	InChI=1S/C13H27NO4/c1-3-5-7-10(12(15)16)9-13(17,18)11(14)8-6-4-2/h10-11,17-18H,3-9,14H2,1-2H3,(H,15,16)/t10-,11+/m1/s1
Definition date:	2008-06-06
Last modified:	2011-06-04
Identifier:	(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid

NLK

NLK
Name:	(2R,5S)-5-amino-2-butyl-4-oxononanoic acid
Formula:	C13 H25 N O3
SMILES:	O=C(CC(C(=O)O)CCCC)C(N)CCCC
InChi:	InChI=1S/C13H25NO3/c1-3-5-7-10(13(16)17)9-12(15)11(14)8-6-4-2/h10-11H,3-9,14H2,1-2H3,(H,16,17)/t10-,11+/m1/s1
Definition date:	2008-06-05
Last modified:	2011-06-04
Identifier:	(2R,5S)-5-amino-2-butyl-4-oxononanoic acid

PA9

PA9
Name:	N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine
Formula:	C9 H17 N2 O7 P
SMILES:	O=C(NCCCC(C(=O)O)NC(=O)C)CP(=O)(O)O
InChi:	InChI=1S/C9H17N2O7P/c1-6(12)11-7(9(14)15)3-2-4-10-8(13)5-19(16,17)18/h7H,2-5H2,1H3,(H,10,13)(H,11,12)(H,14,15)(H2,16,17,18)/t7-/m0/s1
Definition date:	2008-06-03
Last modified:	2011-06-04
Identifier:	N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine

O12

O12
Name:	N~5~-dodecanoyl-L-ornithine
Formula:	C17 H34 N2 O3
SMILES:	O=C(NCCCC(N)C(=O)O)CCCCCCCCCCC
InChi:	InChI=1S/C17H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16(20)19-14-11-12-15(18)17(21)22/h15H,2-14,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1
Definition date:	2008-02-25
Last modified:	2011-06-04
Identifier:	N~5~-dodecanoyl-L-ornithine

Z97

Z97
Name:	(E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine
Formula:	C13 H20 N3 O7 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=NCCC[CH](N)C(O)=O)c1O
InChi:	InChI=1S/C13H20N3O7P/c1-8-12(17)10(6-15-4-2-3-11(14)13(18)19)9(5-16-8)7-23-24(20,21)22/h5-6,11,17H,2-4,7,14H2,1H3,(H,18,19)(H2,20,21,22)/b15-6+/t11-/m0/s1
Definition date:	2009-12-05
Last modified:	2011-06-04
Identifier:	(2S)-2-azanyl-5-[(E)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]pentanoic acid

PR4

PR4
Name:	1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline
Formula:	C8 H13 N O5
SMILES:	O=C(O)C(O)CN1C(C(=O)O)CCC1
InChi:	InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6+/m0/s1
Definition date:	2010-04-02
Last modified:	2011-06-04
Identifier:	1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline

PR7

PR7
Name:	1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline
Formula:	C8 H13 N O5
SMILES:	O=C(O)C(O)CN1C(C(=O)O)CCC1
InChi:	InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1
Definition date:	2010-06-07
Last modified:	2011-06-04
Identifier:	1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline

VX3

VX3
Name:	2,3-diphenyl-1H-indole-7-carboxylic acid
Formula:	C21 H15 N O2
SMILES:	O=C(O)c1cccc2c1nc(c2c3ccccc3)c4ccccc4
InChi:	InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)
Definition date:	2007-11-29
Last modified:	2011-06-04
Identifier:	2,3-diphenyl-1H-indole-7-carboxylic acid

OLZ

OLZ
Name:	O-(2-aminoethyl)-L-serine
Formula:	C5 H12 N2 O3
SMILES:	O=C(O)C(N)COCCN
InChi:	InChI=1S/C5H12N2O3/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
Definition date:	2008-06-27
Last modified:	2011-06-04
Identifier:	O-(2-aminoethyl)-L-serine

ORX

ORX
Name:	N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE
Formula:	C13 H22 N3 O7 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN
InChi:	InChI=1S/C13H22N3O7P/c1-8-12(17)10(6-16-11(13(18)19)3-2-4-14)9(5-15-8)7-23-24(20,21)22/h5,11,16-17H,2-4,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/t11-/m1/s1
Definition date:	2003-02-10
Last modified:	2011-06-04
Identifier:	N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-ornithine

SIR

SIR
Name:	COBALT SIROHYDROCHLORIN
Formula:	C42 H44 Co N4 O16
SMILES:	O=C(O)CC5(C(=C3C=C1C(=C(c8n1[Co+2]47n2c(c(c(c2cc6n7C(=CC5N34)C(CCC(=O)O)C6(CC(=O)O)C)CC(=O)O)CCC(=O)O)c8)CCC(=O)O)CC(=O)O)CCC(=O)O)C
InChi:	InChI=1S/C42H44N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29
Definition date:	2010-11-04
Last modified:	2011-06-04
Identifier:	{3,3',3'',3'''-[(8S,9S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,9,12,13,22,24-hexahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}cobalt(2+)

L2A

L2A
Name:	(2S,5S,8S,11S,15E,20S)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid
Formula:	C30 H51 N5 O8
SMILES:	O=C(O)C1(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)(C)CCCC=CCCC1)CC(=O)O)CC(C)C)CC(C)C)C
InChi:	InChI=1S/C30H51N5O8/c1-18(2)15-20-24(38)33-21(16-19(3)4)26(40)35-30(6,28(42)43)14-12-10-8-7-9-11-13-29(5,31)27(41)34-22(17-23(36)37)25(39)32-20/h7-8,18-22H,9-17,31H2,1-6H3,(H,32,39)(H,33,38)(H,34,41)(H,35,40)(H,36,37)(H,42,43)/b8-7+/t20-,21-,22-,29-,30-/m0/s1
Definition date:	2008-03-20
Last modified:	2011-06-04
Identifier:	(2S,5S,8S,11S,15E,20S)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid

223532

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