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PDB Info pages Status search Chemie search: 35455 results BIRD

TXE

TXE
Name:	[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
Formula:	C21 H31 N7 O14 P2
SMILES:	NC(=O)[CH]1CC=CN(C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3,7-11,13-16,20-21,29-32H,2,4-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	1,2,3,4-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Definition date:	2013-10-31
Last modified:	2020-06-17
Release date:	2014-10-29
Identifier:	[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

BW2

BW2
Name:	N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
Formula:	C20 H19 N5 O8 S
SMILES:	O=C(O)C(NC(=O)c1ccc(cc1)S(=O)(=O)Nc3ccc2N=C(NC(=O)c2c3)N)CCC(=O)O
InChi:	InChI=1S/C20H19N5O8S/c21-20-23-14-6-3-11(9-13(14)18(29)24-20)25-34(32,33)12-4-1-10(2-5-12)17(28)22-15(19(30)31)7-8-16(26)27/h1-6,9,15,25H,7-8H2,(H,22,28)(H,26,27)(H,30,31)(H3,21,23,24,29)
Synonyms:	BW2315U89UC
Definition date:	2003-06-12
Last modified:	2020-06-17
Identifier:	N-({4-[(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)sulfamoyl]phenyl}carbonyl)glutamic acid

TXQ

TXQ
Name:	1,2,5,8-tetrahydroxyanthracene-9,10-dione
Formula:	C14 H8 O6
SMILES:	O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O
InChi:	InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
Synonyms:	1,2,5,8-tetrahydroxy-anthraquinone
Definition date:	2008-12-22
Last modified:	2020-06-17
Identifier:	1,2,5,8-tetrahydroxyanthracene-9,10-dione

TXS

TXS
Name:	1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
Formula:	C14 H21 N3 O4
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCC3
InChi:	InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1
Synonyms:	5'-deoxy-5'-pyrrolidin-1-ylthymidine
Definition date:	2008-05-28
Last modified:	2020-06-17
Identifier:	1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione

BWD

BWD
Name:	2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID
Formula:	C7 H8 Br N3 O4
SMILES:	O=C(O)C(N)CN1C=C(Br)C(=O)NC1=O
InChi:	InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
Synonyms:	BROMO-WILLARDIINE
Definition date:	2002-09-19
Last modified:	2020-06-17
Identifier:	3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine

TY0

TY0
Name:	(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one
Formula:	C14 H21 N O3
SMILES:	O=C(CO)C(N)Cc1ccc(OC(C)(C)C)cc1
InChi:	InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)8-12(15)13(17)9-16/h4-7,12,16H,8-9,15H2,1-3H3/t12-/m0/s1
Synonyms:	Z-Phe-Tyr(OBut)-COCHO
Definition date:	2010-11-01
Last modified:	2020-06-17
Identifier:	(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one

3J8

3J8
Name:	5-methylphenazin-1(5H)-one
Formula:	C13 H10 N2 O
SMILES:	O=C3C2=Nc1c(cccc1)N(C2=CC=C3)C
InChi:	InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3
Synonyms:	Pyocyanin
Definition date:	2009-09-25
Last modified:	2020-06-17
Identifier:	5-methylphenazin-1(5H)-one

3JD

3JD
Name:	2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide
Formula:	C19 H20 N4 O
SMILES:	O=C(c1cccc2cn(nc12)c3ccc(cc3)C4CCCNC4)N
InChi:	InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
Synonyms:	Niraparib
Definition date:	2014-08-26
Last modified:	2020-06-17
Release date:	2015-09-09
Identifier:	2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide

3JL

3JL
Name:	3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid
Formula:	C12 H12 O6
SMILES:	O=C(O)c1cccc(c1C(=O)O)CCCC(=O)O
InChi:	InChI=1S/C12H12O6/c13-9(14)6-2-4-7-3-1-5-8(11(15)16)10(7)12(17)18/h1,3,5H,2,4,6H2,(H,13,14)(H,15,16)(H,17,18)
Synonyms:	3-carboxypropyl-phthalic acid
Definition date:	2014-08-27
Last modified:	2020-06-17
Release date:	2014-12-10
Identifier:	3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid

3JM

3JM
Name:	3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid
Formula:	C11 H10 O6
SMILES:	O=C(O)c1cccc(c1C(=O)O)CCC(=O)O
InChi:	InChI=1S/C11H10O6/c12-8(13)5-4-6-2-1-3-7(10(14)15)9(6)11(16)17/h1-3H,4-5H2,(H,12,13)(H,14,15)(H,16,17)
Synonyms:	3-carboxy-ethyl-phthalic acid
Definition date:	2014-08-27
Last modified:	2020-06-17
Release date:	2014-12-10
Identifier:	3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid

TZE

TZE
Name:	2-(4-METHYL-THIAZOL-5-YL)-ETHANOL
Formula:	C6 H9 N O S
SMILES:	OCCc1scnc1C
InChi:	InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
Synonyms:	4-METHYL-5-HYDROXYETHYLTHIAZOLE
Definition date:	1999-07-30
Last modified:	2020-06-17
Identifier:	2-(4-methyl-1,3-thiazol-5-yl)ethanol

3K8

3K8
Name:	(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline
Formula:	C24 H27 N O3
SMILES:	O(c2ccc1c5c(c3c(c1c2)cc(OC)c(OC)c3)CC4N(CCCC4)C5)C
InChi:	InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m1/s1
Synonyms:	Cryptopleurine
Definition date:	2014-09-01
Last modified:	2020-06-17
Release date:	2014-10-22
Identifier:	(14aR)-2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-dibenzo[f,h]pyrido[1,2-b]isoquinoline

3KA

3KA
Name:	1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidine-2,4(1H,3H)-dione
Formula:	C9 H13 N2 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
InChi:	InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
Synonyms:	L-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Definition date:	2014-09-03
Last modified:	2020-06-17
Release date:	2015-05-06
Identifier:	1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidine-2,4(1H,3H)-dione

TZT

TZT
Name:	SOBLIDOTIN
Formula:	C39 H67 N5 O6
SMILES:	O=C(N2C(C(OC)C(C(=O)NCCc1ccccc1)C)CCC2)CC(OC)C(N(C(=O)C(NC(=O)C(N(C)C)C(C)C)C(C)C)C)C(C)CC
InChi:	InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30+,31+,33+,34+,35+,36-/m1/s1
Synonyms:	TZT-1027
Definition date:	2008-08-12
Last modified:	2020-06-17
Identifier:	N,N-dimethyl-L-valyl-N-{(1S,2S)-2-methoxy-4-[(2S)-2-{(1R,2S)-1-methoxy-2-methyl-3-oxo-3-[(2-phenylethyl)amino]propyl}pyrrolidin-1-yl]-1-[(1R)-1-methylpropyl]-4-oxobutyl}-N-methyl-L-valinamide

3KE

3KE
Name:	4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid
Formula:	C24 H21 N5 O4
SMILES:	O=C(O)c1ccc(cc1)CNC(=O)c4cccc(c2nn(nn2)Cc3ccc(OC)cc3)c4
InChi:	InChI=1S/C24H21N5O4/c1-33-21-11-7-17(8-12-21)15-29-27-22(26-28-29)19-3-2-4-20(13-19)23(30)25-14-16-5-9-18(10-6-16)24(31)32/h2-13H,14-15H2,1H3,(H,25,30)(H,31,32)
Synonyms:	4-((3-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)benzamido)methyl)benzoic acid
Definition date:	2009-10-29
Last modified:	2020-06-17
Identifier:	4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid

U06

U06
Name:	4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid
Formula:	C23 H22 N4 O3
SMILES:	CCc1nc(N)nc(N)c1C#CCc2cc(ccc2OC)c3ccc(cc3)C(O)=O
InChi:	InChI=1S/C23H22N4O3/c1-3-19-18(21(24)27-23(25)26-19)6-4-5-17-13-16(11-12-20(17)30-2)14-7-9-15(10-8-14)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27)
Synonyms:	3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid
Definition date:	2016-01-07
Last modified:	2020-06-17
Release date:	2016-08-23
Identifier:	4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid

U15

U15
Name:	METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE
Formula:	C20 H31 N3 O5
SMILES:	O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C)C)CC(C)C
InChi:	InChI=1S/C20H31N3O5/c1-11(2)10-15(20(27)28-5)23-18(25)13(4)22-19(26)17(24)16(21)14-8-6-12(3)7-9-14/h6-9,11,13,15-17,24H,10,21H2,1-5H3,(H,22,26)(H,23,25)/t13-,15+,16+,17-/m0/s1
Synonyms:	2-[2-(3-AMINO-2-HYDROXY-3-P-TOLYL-PROPIONYLAMINO)-PROPIONYLAMINO]-4-METHYL-PENTANOIC ACID METHYL ESTER
Definition date:	2006-04-03
Last modified:	2020-06-17
Identifier:	methyl N-[(2S,3R)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-L-alanyl-D-leucinate

3LU

3LU
Name:	1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyr idinium
Formula:	C21 H22 N3 O8 S2
SMILES:	O=S(=O)(O)C(c1ccccc1)C(=O)NC(C(=O)O)C2SCC(=C(N2)C(=O)O)C[n+]3ccccc3
InChi:	InChI=1S/C21H21N3O8S2/c25-18(17(34(30,31)32)13-7-3-1-4-8-13)22-16(21(28)29)19-23-15(20(26)27)14(12-33-19)11-24-9-5-2-6-10-24/h1-10,16-17,19,23H,11-12H2,(H3-,22,25,26,27,28,29,30,31,32)/p+1/t16-,17+,19+/m0/s1
Synonyms:	Cefsulodin, bound form
Definition date:	2014-09-19
Last modified:	2020-06-17
Release date:	2015-07-01
Identifier:	1-({(2R)-4-carboxy-2-[(R)-carboxy{[(2R)-2-phenyl-2-sulfoacetyl]amino}methyl]-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium

3M0

3M0
Name:	2-azanyl-3-methyl-benzoic acid
Formula:	C8 H9 N O2
SMILES:	O=C(O)c1cccc(c1N)C
InChi:	InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)
Synonyms:	3-methylanthranilate
Definition date:	2014-02-06
Last modified:	2020-06-17
Release date:	2014-04-23
Identifier:	2-amino-3-methylbenzoic acid

U20

U20
Name:	uridine-5'-diphosphate-3-O-(R-3-hydroxymyristoyl)-N-acetyl-D-glucosamine
Formula:	C31 H53 N3 O19 P2
SMILES:	O=P(OC1OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/t19-,20-,21-,24-,25-,26-,27-,28-,29-,30-/m1/s1
Synonyms:	(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydrox ytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H- pyran-4-yl (3R)-3-hydroxytetradecanoate
Definition date:	2007-07-30
Last modified:	2020-06-17
Identifier:	(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate (non-preferred name)

U21

U21
Name:	uridine-5'-diphosphate-3-O-(R-3-hydroxydecanoyl)-N-acetyl-D-glucosamine
Formula:	C27 H45 N3 O19 P2
SMILES:	O=P(OC1OC(C(O)C(OC(=O)CC(O)CCCCCCC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C27H45N3O19P2/c1-3-4-5-6-7-8-15(33)11-19(35)47-24-20(28-14(2)32)26(46-16(12-31)22(24)37)48-51(42,43)49-50(40,41)44-13-17-21(36)23(38)25(45-17)30-10-9-18(34)29-27(30)39/h9-10,15-17,20-26,31,33,36-38H,3-8,11-13H2,1-2H3,(H,28,32)(H,40,41)(H,42,43)(H,29,34,39)/t15-,16-,17-,20-,21-,22-,23-,24-,25-,26-/m1/s1
Synonyms:	(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydrox ytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H- pyran-4-yl (3R)-3-hydroxydecanoate
Definition date:	2007-07-31
Last modified:	2020-06-17
Identifier:	(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxydecanoate (non-preferred name)

3MI

3MI
Name:	2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
Formula:	C14 H7 Cl2 N O3
SMILES:	O=C(O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3
InChi:	InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
Synonyms:	Tafamidis
Definition date:	2010-04-20
Last modified:	2020-06-17
Identifier:	2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid

U22

U22
Name:	uridine-5'-diphosphate-3-N-(R-3-hydroxylauroyl)-N-acetyl-D-glucosamine
Formula:	C29 H50 N4 O18 P2
SMILES:	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(NC(=O)CC(O)CCCCCCCCC)C3NC(=O)C)CO)O)O
InChi:	InChI=1S/C29H50N4O18P2/c1-3-4-5-6-7-8-9-10-17(36)13-21(38)31-22-23(30-16(2)35)28(49-18(14-34)24(22)39)50-53(45,46)51-52(43,44)47-15-19-25(40)26(41)27(48-19)33-12-11-20(37)32-29(33)42/h11-12,17-19,22-28,34,36,39-41H,3-10,13-15H2,1-2H3,(H,30,35)(H,31,38)(H,43,44)(H,45,46)(H,32,37,42)/t17-,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1
Synonyms:	(2R,3R,4R,5S,6R)-3-(acetylamino)-5-hydroxy-4-{[(3R)-3-hydroxydodecanoyl]amino}-6-(hydroxymethyl)tetrahydro-2H-pyran-2-y l [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Definition date:	2009-07-30
Last modified:	2020-06-17
Identifier:	(2R,3R,4R,5S,6R)-3-(acetylamino)-5-hydroxy-4-{[(3R)-3-hydroxydodecanoyl]amino}-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

3MS

3MS
Name:	N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide
Formula:	C20 H23 N5 O6 S2
SMILES:	O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C4=C(O)c3cccn3N(C4=O)CCC(C)C)C
InChi:	InChI=1S/C20H23N5O6S2/c1-12(2)8-10-25-20(27)17(18(26)15-5-4-9-24(15)25)19-21-14-7-6-13(22-32(3,28)29)11-16(14)33(30,31)23-19/h4-7,9,11-12,22,26H,8,10H2,1-3H3,(H,21,23)
Synonyms:	N-{3-[4-Hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo [1,2,4]thiadiazin-7-yl}-methanesulfonamide
Definition date:	2008-04-01
Last modified:	2020-06-17
Identifier:	N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

U2G

U2G
Name:	URIDYLYL-2'-5'-PHOSPHO-GUANOSINE
Formula:	C19 H24 N7 O13 P
SMILES:	O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O
InChi:	InChI=1S/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-27)37-17(13)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1
Synonyms:	PHOSPHORIC ACID-2'-[2'-DEOXY-URIDINE]ESTER-5'-GUANOSINE ESTER
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name)

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數據於2024-09-04公開中

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