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PDB Info pages Status search Chemie search: 1047 results BIRD

BGC

BGC
Name:	beta-D-glucopyranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	beta-D-glucose
Definition date:	2002-01-22
Last modified:	2024-09-27
Identifier:	beta-D-glucopyranose

BH2

BH2
Name:	(3R)-3-hydroxy-L-aspartic acid
Formula:	C4 H7 N O5
SMILES:	O=C(O)C(O)C(C(=O)O)N
InChi:	InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/m0/s1
Definition date:	2011-01-07
Last modified:	2024-09-27
Identifier:	(3R)-3-hydroxy-L-aspartic acid

BHD

BHD
Name:	(3S)-3-hydroxy-L-aspartic acid
Formula:	C4 H7 N O5
SMILES:	O=C(O)C(O)C(C(=O)O)N
InChi:	InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1
Synonyms:	BETA-HYDROXYASPARTIC ACID
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(3S)-3-hydroxy-L-aspartic acid

BIL

BIL
Name:	(3R,4S)-3-amino-4-methylhexanoic acid
Formula:	C7 H15 N O2
SMILES:	O=C(O)CC(N)C(CC)C
InChi:	InChI=1S/C7H15NO2/c1-3-5(2)6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m0/s1
Synonyms:	(R,S)-beta-3-homoisoleucine
Definition date:	2008-02-05
Last modified:	2024-09-27
Identifier:	(3R,4S)-3-amino-4-methylhexanoic acid

BIU

BIU
Name:	5-bromo-L-isoleucine
Formula:	C6 H12 Br N O2
SMILES:	BrCCC(C(N)C(=O)O)C
InChi:	InChI=1S/C6H12BrNO2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
Definition date:	2008-09-08
Last modified:	2024-09-27
Identifier:	5-bromo-L-isoleucine

4CF

4CF
Name:	4-cyano-L-phenylalanine
Formula:	C10 H10 N2 O2
SMILES:	O=C(O)C(N)Cc1ccc(C#N)cc1
InChi:	InChI=1S/C10H10N2O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2010-09-07
Last modified:	2024-09-27
Identifier:	4-cyano-L-phenylalanine

BIX

BIX
Name:	(2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid
Formula:	C10 H18 N O8 P
SMILES:	O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(C(=O)O)N
InChi:	InChI=1S/C10H18NO8P/c11-7(10(16)17)3-4-20(18,19)5-6(9(14)15)1-2-8(12)13/h6-7H,1-5,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t6-,7+/m1/s1
Definition date:	2007-11-30
Last modified:	2024-09-27
Identifier:	(2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid

4CY

4CY
Name:	nitrilo-L-methionine
Formula:	C5 H8 N2 O2 S
SMILES:	N#CSCCC(C(=O)O)N
InChi:	InChI=1S/C5H8N2O2S/c6-3-10-2-1-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1
Definition date:	2010-09-07
Last modified:	2024-09-27
Identifier:	nitrilo-L-methionine

4DB

4DB
Name:	(2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid
Formula:	C14 H17 N3 O4
SMILES:	O=C(O)C(N)CCN2C(=O)c1ccc(cc1C2=O)N(C)C
InChi:	InChI=1S/C14H17N3O4/c1-16(2)8-3-4-9-10(7-8)13(19)17(12(9)18)6-5-11(15)14(20)21/h3-4,7,11H,5-6,15H2,1-2H3,(H,20,21)/t11-/m0/s1
Definition date:	2009-09-23
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]butanoic acid

BMT

BMT
Name:	4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE
Formula:	C10 H19 N O3
SMILES:	O=C(O)C(NC)C(O)C(C/C=C/C)C
InChi:	InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid

V9M

V9M
Name:	(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium
Formula:	C15 H32 N O2
SMILES:	C(C(C(C)C)[NH+](CCC(CC(C)(C)C)C)C)(O)=O
InChi:	InChI=1S/C15H31NO2/c1-11(2)13(14(17)18)16(7)9-8-12(3)10-15(4,5)6/h11-13H,8-10H2,1-7H3,(H,17,18)/p+1/t12-,13-/m0/s1
Definition date:	2020-07-21
Last modified:	2024-09-27
Release date:	2020-09-16
Identifier:	(3R)-N-[(1S)-1-carboxy-2-methylpropyl]-N,3,5,5-tetramethylhexan-1-aminium

VAD

VAD
Name:	DEAMINOHYDROXYVALINE
Formula:	C5 H10 O3
SMILES:	O=C(O)C(O)C(C)C
InChi:	InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2R)-2-hydroxy-3-methylbutanoic acid

VAH

VAH
Name:	(3R)-3-hydroxy-L-norvaline
Formula:	C5 H11 N O3
SMILES:	O=C(O)C(N)C(O)CC
InChi:	InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m1/s1
Synonyms:	L-3-Hydroxynorvaline
Definition date:	2010-06-16
Last modified:	2024-09-27
Identifier:	(3R)-3-hydroxy-L-norvaline

VAI

VAI
Name:	(2S)-2-amino-3-methylbutane-1,1-diol
Formula:	C5 H13 N O2
SMILES:	OC(O)C(N)C(C)C
InChi:	InChI=1S/C5H13NO2/c1-3(2)4(6)5(7)8/h3-5,7-8H,6H2,1-2H3/t4-/m0/s1
Definition date:	2011-02-01
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-methylbutane-1,1-diol

GAF

GAF
Name:	2-deoxy-2-fluoro-alpha-D-galactopyranose
Formula:	C6 H11 F O5
SMILES:	FC1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	2-DEOXY-2-FLUORO-GALACTOSE
Definition date:	2004-02-11
Last modified:	2024-09-27
Identifier:	2-deoxy-2-fluoro-alpha-D-galactopyranose

VDL

VDL
Name:	(2R,3R)-2,3-DIAMINOBUTANOIC ACID
Formula:	C4 H10 N2 O2
SMILES:	O=C(O)C(N)C(N)C
InChi:	InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3-/m1/s1
Synonyms:	D-ERITHRO-2,3-DIAMINO-BUTYRIC ACID
Definition date:	2004-07-16
Last modified:	2024-09-27
Identifier:	(2R,3R)-2,3-diaminobutanoic acid

VLL

VLL
Name:	(2S)-2,3-DIAMINOBUTANOIC ACID
Formula:	C4 H10 N2 O2
SMILES:	O=C(O)C(N)C(N)C
InChi:	InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3+/m1/s1
Synonyms:	L-THREO-2,3-DIAMINO-BUTYRIC ACID
Definition date:	2004-07-16
Last modified:	2024-09-27
Identifier:	(2S,3R)-2,3-diaminobutanoic acid

VLM

VLM
Name:	VALINYLAMINE
Formula:	C5 H12 N2 O
SMILES:	O=C(N)C(N)C(C)C
InChi:	InChI=1S/C5H12N2O/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8)/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	L-valinamide

VME

VME
Name:	METHYL L-VALINATE
Formula:	C6 H13 N O2
SMILES:	O=C(OC)C(N)C(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1
Synonyms:	O-METHYLVALINE
Definition date:	2006-11-11
Last modified:	2024-09-27
Identifier:	methyl L-valinate

VOL

VOL
Name:	L-VALINOL
Formula:	C5 H13 N O
SMILES:	OCC(N)C(C)C
InChi:	InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
Definition date:	2002-06-26
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-3-methylbutan-1-ol

VPF

VPF
Name:	N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide
Formula:	C22 H32 N3 O8 P
SMILES:	O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2
InChi:	InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18-,20-/m0/s1
Definition date:	2012-02-10
Last modified:	2024-09-27
Release date:	2013-01-18
Identifier:	N-(3-carboxypropanoyl)-L-valyl-N-[(1S)-2-phenyl-1-phosphonoethyl]-L-prolinamide

C4R

C4R
Name:	(R)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium
Formula:	C10 H14 N O2 Rh S
SMILES:	N[CH](C[SH]1C2[CH]3CC[CH]2C4=C3[Rh+]14)C(O)=O
InChi:	InChI=1S/C10H13NO2S.Rh/c11-8(10(12)13)5-14-9-6-1-2-7(9)4-3-6
Synonyms:	(bicyclo [2.2.1] hepta-2-ene)-cystein rhodium
Definition date:	2008-11-11
Last modified:	2024-09-27

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

1S7

1S7
Name:	(2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C15 H16 N2 O5 S2
SMILES:	O=CC(OC)(NC(=O)Cc1sccc1)C2N=C(C(=O)O)C(=C)CS2
InChi:	InChI=1S/C15H16N2O5S2/c1-9-7-24-14(16-12(9)13(20)21)15(8-18,22-2)17-11(19)6-10-4-3-5-23-10/h3-5,8,14H,1,6-7H2,2H3,(H,17,19)(H,20,21)/t14-,15+/m1/s1
Synonyms:	Cefoxitin, bound form
Definition date:	2013-05-15
Last modified:	2024-09-27
Release date:	2014-10-29
Identifier:	(2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

W4T

W4T
Name:	3-bromo-S-beta-phenylalanine
Formula:	C9 H10 Br N O2
SMILES:	N[CH](CC(O)=O)c1cccc(Br)c1
InChi:	InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
Synonyms:	(3S)-3-azanyl-3-(3-bromophenyl)propanoic acid
Definition date:	2023-04-28
Last modified:	2024-09-27
Release date:	2024-01-10
Identifier:	(3~{S})-3-azanyl-3-(3-bromophenyl)propanoic acid

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