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PDB Info pages Status search Chemie search: 168 results BIRD

LYJ

LYJ
Name:	(2S)-2,6-diaminohexan-1-ol
Formula:	C6 H16 N2 O
SMILES:	OCC(N)CCCCN
InChi:	InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1
Definition date:	2012-01-18
Last modified:	2024-09-27
Identifier:	(2S)-2,6-diaminohexan-1-ol

LYK

LYK
Name:	(2S)-2,6-diaminohexane-1,1-diol
Formula:	C6 H16 N2 O2
SMILES:	OC(O)C(N)CCCCN
InChi:	InChI=1S/C6H16N2O2/c7-4-2-1-3-5(8)6(9)10/h5-6,9-10H,1-4,7-8H2/t5-/m0/s1
Definition date:	2010-10-08
Last modified:	2024-09-27
Identifier:	(2S)-2,6-diaminohexane-1,1-diol

M2L

M2L
Name:	(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid
Formula:	C7 H16 N2 O2 S
SMILES:	O=C(O)C(N)CSCCN(C)C
InChi:	InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1
Definition date:	2008-04-09
Last modified:	2024-09-27
Identifier:	S-[2-(dimethylamino)ethyl]-L-cysteine

9PR

9PR
Name:	N-methyl-L-prolinamide
Formula:	C6 H12 N2 O
SMILES:	O=C(NC)C1NCCC1
InChi:	InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
Definition date:	2010-12-09
Last modified:	2024-09-27
Identifier:	N-methyl-L-prolinamide

M9P

M9P
Name:	amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium
Formula:	C7 H16 F3 N4 O
SMILES:	FC(F)(F)C(O)C(N)CCCNC(=[NH2+])N
InChi:	InChI=1S/C7H15F3N4O/c8-7(9,10)5(15)4(11)2-1-3-14-6(12)13/h4-5,15H,1-3,11H2,(H4,12,13,14)/p+1/t4-,5-/m0/s1
Definition date:	2013-09-18
Last modified:	2024-09-27
Release date:	2014-07-08
Identifier:	amino{[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium

1RG

1RG
Name:	(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid
Formula:	C22 H27 N3 O7 S
SMILES:	O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2=C(C(=O)O)NC(C2C)C(C=O)C(O)C)C3
InChi:	InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,23,25,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-/m1/s1
Synonyms:	ERTAPENEM, bound form PRE-ISOMERIZED
Definition date:	2009-10-19
Last modified:	2024-09-27
Identifier:	(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid

MK8

MK8
Name:	2-methyl-L-norleucine
Formula:	C7 H15 N O2
SMILES:	O=C(O)C(N)(CCCC)C
InChi:	InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1
Definition date:	2010-04-16
Last modified:	2024-09-27
Identifier:	2-methyl-L-norleucine

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:	2024-09-27
Identifier:	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide

MP8

MP8
Name:	(4R)-4-methyl-L-proline
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1NCC(C)C1
InChi:	InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1
Definition date:	2009-08-18
Last modified:	2024-09-27
Identifier:	(4R)-4-methyl-L-proline

MYK

MYK
Name:	N~6~-tetradecanoyl-L-lysine
Formula:	C20 H40 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)CCCCCCCCCCCCC
InChi:	InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1
Synonyms:	N6-myristoyl lysine
Definition date:	2011-10-17
Last modified:	2024-09-27
Identifier:	N~6~-tetradecanoyl-L-lysine

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:	2024-09-27
Identifier:	N~5~-dodecanoyl-L-ornithine

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:	2024-09-27
Identifier:	N~5~-hydroxy-L-ornithine

2RG

2RG
Name:	(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C22 H27 N3 O7 S
SMILES:	O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2C(=NC(C2C)C(C=O)C(O)C)C(=O)O)C3
InChi:	InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-,19+/m1/s1
Synonyms:	ERTAPENEM, bound form POST-ISOMERIZED
Definition date:	2010-04-07
Last modified:	2024-09-27
Identifier:	(2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

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:	2024-09-27
Identifier:	N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-ornithine

PDF

PDF
Name:	4,4-difluoro-L-proline
Formula:	C5 H7 F2 N O2
SMILES:	O=C(O)C1NCC(F)(F)C1
InChi:	InChI=1S/C5H7F2NO2/c6-5(7)1-3(4(9)10)8-2-5/h3,8H,1-2H2,(H,9,10)/t3-/m0/s1
Definition date:	2008-10-07
Last modified:	2024-09-27
Release date:	2015-06-17
Identifier:	4,4-difluoro-L-proline

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:	2024-09-27
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:	2024-09-27
Identifier:	1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline

B3M

B3M
Name:	(3R)-3-amino-5-(methylsulfanyl)pentanoic acid
Formula:	C6 H13 N O2 S
SMILES:	O=C(O)CC(N)CCSC
InChi:	InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
Definition date:	2008-11-19
Last modified:	2024-09-27
Identifier:	(3R)-3-amino-5-(methylsulfanyl)pentanoic acid

3PX

3PX
Name:	(3S)-3-(propan-2-yloxy)-L-proline
Formula:	C8 H15 N O3
SMILES:	O=C(O)C1NCCC1OC(C)C
InChi:	InChI=1S/C8H15NO3/c1-5(2)12-6-3-4-9-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
Definition date:	2011-04-26
Last modified:	2024-09-27
Identifier:	(3S)-3-(propan-2-yloxy)-L-proline

BVH

BVH
Name:	(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
Formula:	C8 H14 O2
SMILES:	C1(CCC(C=C)CC1O)O
InChi:	InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m0/s1
Definition date:	2016-11-11
Last modified:	2024-09-27
Release date:	2017-10-11
Identifier:	(1R,2R,4S)-4-ethenylcyclohexane-1,2-diol

00K

00K
Name:	(1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
Formula:	C28 H44 N6 O4
SMILES:	O=C(NC1CCCCC1)C(O)C(NC(=O)C3N2C(=O)C(N)(CCN2CC3)Cc4ccccc4)CCCCN
InChi:	InChI=1S/C28H44N6O4/c29-16-8-7-13-22(24(35)26(37)31-21-11-5-2-6-12-21)32-25(36)23-14-17-33-18-15-28(30,27(38)34(23)33)19-20-9-3-1-4-10-20/h1,3-4,9-10,21-24,35H,2,5-8,11-19,29-30H2,(H,31,37)(H,32,36)/t22-,23-,24-,28+/m0/s1
Synonyms:	MOL-106
Definition date:	2010-10-27
Last modified:	2024-09-27
Identifier:	(1S,7S)-7-amino-N-[(2S,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide

00L

00L
Name:	(1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
Formula:	C30 H42 N8 O4
SMILES:	O=C(NCCc1ccccc1)C(O)C(NC(=O)C3N2C(=O)C(N)(CCN2CC3)Cc4ccccc4)CCCNC(=[N@H])N
InChi:	InChI=1S/C30H42N8O4/c31-29(32)35-16-7-12-23(25(39)27(41)34-17-13-21-8-3-1-4-9-21)36-26(40)24-14-18-37-19-15-30(33,28(42)38(24)37)20-22-10-5-2-6-11-22/h1-6,8-11,23-25,39H,7,12-20,33H2,(H,34,41)(H,36,40)(H4,31,32,35)/t23-,24-,25-,30+/m0/s1
Synonyms:	MOL-126
Definition date:	2010-10-28
Last modified:	2024-09-27
Identifier:	(1S,7S)-7-amino-7-benzyl-N-{(2S,3S)-6-carbamimidamido-2-hydroxy-1-oxo-1-[(2-phenylethyl)amino]hexan-3-yl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide

00N

00N
Name:	(1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide
Formula:	C24 H34 N8 O3 S
SMILES:	O=C3N1N(CCC1C(=O)NC(C(O)c2nccs2)CCCNC(=[N@H])N)CCC3(N)Cc4ccccc4
InChi:	InChI=1S/C24H34N8O3S/c25-23(26)29-10-4-7-17(19(33)21-28-11-14-36-21)30-20(34)18-8-12-31-13-9-24(27,22(35)32(18)31)15-16-5-2-1-3-6-16/h1-3,5-6,11,14,17-19,33H,4,7-10,12-13,15,27H2,(H,30,34)(H4,25,26,29)/t17-,18-,19-,24+/m0/s1
Synonyms:	MOL-127
Definition date:	2010-10-28
Last modified:	2024-09-27
Identifier:	(1S,7S)-7-amino-7-benzyl-N-[(1S,2S)-5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide

0AR

0AR
Name:	N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
Formula:	C8 H16 N4 O3
SMILES:	O=C(O)C(N)CCCNC(=[N@H])NC(=O)C
InChi:	InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1
Definition date:	2009-07-10
Last modified:	2024-09-27
Identifier:	N~5~-(N-acetylcarbamimidoyl)-L-ornithine

DVH

DVH
Name:	(1S,2S,4R)-4-ethenylcyclohexane-1,2-diol
Formula:	C8 H14 O2
SMILES:	C1(CCC(C=C)CC1O)O
InChi:	InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7+,8+/m1/s1
Definition date:	2016-11-11
Last modified:	2024-09-27
Release date:	2017-10-11
Identifier:	(1S,2S,4R)-4-ethenylcyclohexane-1,2-diol

225946

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