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PDB Info pages Status search Chemie search: 116 results BIRD

ZPE

ZPE
Name:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate
Formula:	C37 H70 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCC=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCC=C/CCCCCC
InChi:	InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h13,15,22,24,35H,3-12,14,16-21,23,25-34,38H2,1-2H3,(H,41,42)/b15-13-,24-22?/t35-/m1/s1
Definition date:	2013-03-11
Last modified:	2013-11-01
Release date:	2013-11-06
Identifier:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z)-tetradec-5-enoyloxy]propyl (11Z)-octadec-11-enoate

0O6

0O6
Name:	(3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide]
Formula:	C64 H88 N14 O8
SMILES:	O=C9N1C(CCC1C(=O)NC(c2ccccc2)c3nnn(c3)CCCCc4ccc(cc4)CCCCn5nnc(c5)C(c6ccccc6)NC(=O)C8N7C(=O)C(NC(=O)C(NC)CC)C(CO)CCC7CC8)CCC(CO)C9NC(=O)C(NC)CC
InChi:	InChI=1S/C64H88N14O8/c1-5-49(65-3)59(81)69-57-45(39-79)27-29-47-31-33-53(77(47)63(57)85)61(83)67-55(43-19-9-7-10-20-43)51-37-75(73-71-51)35-15-13-17-41-23-25-42(26-24-41)18-14-16-36-76-38-52(72-74-76)56(44-21-11-8-12-22-44)68-62(84)54-34-32-48-30-28-46(40-80)58(64(86)78(48)54)70-60(82)50(6-2)66-4/h7-12,19-26,37-38,45-50,53-58,65-66,79-80H,5-6,13-18,27-36,39-40H2,1-4H3,(H,67,83)(H,68,84)(H,69,81)(H,70,82)/t45-,46-,47+,48+,49+,50+,53+,54+,55+,56+,57+,58+/m1/s1
Definition date:	2012-03-29
Last modified:	2012-11-30
Release date:	2012-11-30
Identifier:	(3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide] (non-preferred name)

XPM

XPM
Name:	tetradecylpropanedioic acid
Formula:	C17 H32 O4
SMILES:	O=C(O)C(C(=O)O)CCCCCCCCCCCCCC
InChi:	InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
Definition date:	2011-10-05
Last modified:	2012-08-24
Release date:	2012-08-24
Identifier:	tetradecylpropanedioic acid

00V

00V
Name:	(2S,3S)-3,7-diamino-2-hydroxyheptanoic acid
Formula:	C7 H16 N2 O3
SMILES:	O=C(O)C(O)C(N)CCCCN
InChi:	InChI=1S/C7H16N2O3/c8-4-2-1-3-5(9)6(10)7(11)12/h5-6,10H,1-4,8-9H2,(H,11,12)/t5-,6-/m0/s1
Definition date:	2010-11-12
Last modified:	2012-01-13
Identifier:	(2S,3S)-3,7-diamino-2-hydroxyheptanoic acid

00Y

00Y
Name:	1-[(4S,5S)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine
Formula:	C9 H17 N5 O S
SMILES:	OC(c1nccs1)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C9H17N5OS/c10-6(2-1-3-14-9(11)12)7(15)8-13-4-5-16-8/h4-7,15H,1-3,10H2,(H4,11,12,14)/t6-,7-/m0/s1
Definition date:	2010-11-12
Last modified:	2012-01-13
Identifier:	1-[(4S,5S)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine

MJS

MJS
Name:	(5R)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium
Formula:	C6 H18 B N2 O2
SMILES:	OB(OC)C(N)CCCC[NH3+]
InChi:	InChI=1S/C6H17BN2O2/c1-11-7(10)6(9)4-2-3-5-8/h6,10H,2-5,8-9H2,1H3/p+1/t6-/m0/s1
Definition date:	2009-04-13
Last modified:	2012-01-13
Identifier:	(5R)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium

WRG

WRG
Name:	(2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid
Formula:	C20 H30 N6 O5
SMILES:	O=C(NC)NC(=[N@H])NCCCC(NC(=O)C)C(=O)N(C(C(=O)O)Cc1ccccc1)C
InChi:	InChI=1S/C20H30N6O5/c1-13(27)24-15(10-7-11-23-19(21)25-20(31)22-2)17(28)26(3)16(18(29)30)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-12H2,1-3H3,(H,24,27)(H,29,30)(H4,21,22,23,25,31)/t15-,16-/m0/s1
Definition date:	2008-03-11
Last modified:	2012-01-05
Identifier:	N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-L-ornithyl-N-methyl-L-phenylalanine

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

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

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

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

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

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

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

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!

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

1PI

1PI
Name:	(3R)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide
Formula:	C9 H18 N4 O
SMILES:	O=CC(N)CC1CCCN(C(=[N@H])N)C1
InChi:	InChI=1S/C9H18N4O/c10-8(6-14)4-7-2-1-3-13(5-7)9(11)12/h6-8H,1-5,10H2,(H3,11,12)/t7-,8+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3R)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide

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

36A

36A
Name:	(S)-2-amino-4-(((2S,3S,4R,5R)-5-(6-(3-chlorobenzylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid
Formula:	C21 H25 Cl N6 O5 S
SMILES:	O=C(O)C(N)CCSCC4OC(n2cnc1c(ncnc12)NCc3cccc(Cl)c3)C(O)C4O
InChi:	InChI=1S/C21H25ClN6O5S/c22-12-3-1-2-11(6-12)7-24-18-15-19(26-9-25-18)28(10-27-15)20-17(30)16(29)14(33-20)8-34-5-4-13(23)21(31)32/h1-3,6,9-10,13-14,16-17,20,29-30H,4-5,7-8,23H2,(H,31,32)(H,24,25,26)/t13-,14+,16+,17+,20+/m0/s1
Definition date:	2010-11-01
Last modified:	2011-06-04
Identifier:	(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-{6-[(3-chlorobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

219869

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