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PDB Info pages Status search Chemie search: 22 results BIRD

FL6

FL6
Name:	(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
Formula:	C5 H9 N O4
SMILES:	COC(=O)C[CH](N)C(O)=O
InChi:	InChI=1S/C5H9NO4/c1-10-4(7)2-3(6)5(8)9/h3H,2,6H2,1H3,(H,8,9)/t3-/m0/s1
Definition date:	2020-06-02
Last modified:	2024-09-27
Release date:	2020-09-02
Identifier:	(2~{S})-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid

LHC

LHC
Name:	(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid
Formula:	C8 H12 N4 O3
SMILES:	O=C1N=C(C=CN1CCC(C(=O)O)N)N
InChi:	InChI=1S/C8H12N4O3/c9-5(7(13)14)1-3-12-4-2-6(10)11-8(12)15/h2,4-5H,1,3,9H2,(H,13,14)(H2,10,11,15)/t5-/m0/s1
Definition date:	2008-02-12
Last modified:	2024-09-27
Identifier:	(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid

RYF

RYF
Name:	~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C11 H8 I N5
SMILES:	Ic1ccc(Nc2ncnc3[nH]ncc23)cc1
InChi:	InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
Definition date:	2022-12-09
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine

YF8

YF8
Name:	N-[8-(4-{[(1R,3R,4S)-4-(4-chlorophenyl)-1-methyl-3-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}cyclohexyl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide
Formula:	C82 H104 Cl F3 N11 O11 S4
SMILES:	O=S(=O)(c1cc(ccc1NC(CSc1ccccc1)CCN1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)CC=1CC(C)(CCC=1c1ccc(Cl)cc1)CN1CCN(CC1)C(=O)CCCCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NC(C)c1ccc(cc1)c1scnc1C)C(C)(C)C)C(F)(F)F
InChi:	InChI=1S/C82H105ClF3N11O11S4/c1-56(58-18-20-60(21-19-58)75-57(2)87-55-110-75)88-78(102)71-48-66(98)52-97(71)79(103)76(80(3,4)5)90-73(99)16-12-7-8-13-17-74(100)96-42-38-94(39-43-96)54-81(6)34-32-69(59-22-26-63(83)27-23-59)62(50-81)51-93-36-40-95(41-37-93)65-28-24-61(25-29-65)77(101)91-112(106,107)68-30-31-70(72(49-68)111(104,105)82(84,85)86)89-64(33-35-92-44-46-108-47-45-92)53-109-67-14-10-9-11-15-67/h9-11,14-15,18-31,49,55-56,64,66,71,76,89,98H,7-8,12-13,16-17,32-48,50-54H2,1-6H3,(H,88,102)(H,90,99)(H,91,101)/t56-,64+,66+,71-,76+,81+/m0/s1
Definition date:	2023-01-26
Last modified:	2024-04-05
Release date:	2024-04-10
Identifier:	N-[8-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide

KLC

KLC
Name:	(3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one
Formula:	C24 H44 O8
SMILES:	CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)[CH](O)CCC[CH](OC)[CH](O)C(=O)O1)OC
InChi:	InChI=1S/C24H44O8/c1-7-16(14-25)11-15(2)19-12-17(30-5)13-21(27)24(3,4)20(26)10-8-9-18(31-6)22(28)23(29)32-19/h11,16-22,25-28H,7-10,12-14H2,1-6H3/b15-11-/t16-,17-,18-,19+,20+,21+,22+/m1/s1
Definition date:	2022-05-30
Last modified:	2022-12-09
Release date:	2022-12-14
Identifier:	(3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one

4XI

4XI
Name:	5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide
Formula:	C25 H26 Cl N3 O2 S
SMILES:	CN1CCC2(CC1)[CH](N(Cc3sc(cc3)C(=O)NO)c4ccccc24)c5ccc(Cl)cc5
InChi:	InChI=1S/C25H26ClN3O2S/c1-28-14-12-25(13-15-28)20-4-2-3-5-21(20)29(23(25)17-6-8-18(26)9-7-17)16-19-10-11-22(32-19)24(30)27-31/h2-11,23,31H,12-16H2,1H3,(H,27,30)/t23-/m0/s1
Definition date:	2021-07-07
Last modified:	2022-07-15
Release date:	2022-07-20
Identifier:	5-[[(2~{S})-2-(4-chlorophenyl)-1'-methyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide

1T1

1T1
Name:	stearoyl adenylate
Formula:	C28 H48 N5 O8 P
SMILES:	CCCCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1
Synonyms:	5'-O-[(R)-hydroxy(octadecanoyloxy)phosphoryl]adenosine
Definition date:	2021-06-25
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	5'-O-[(R)-hydroxy(octadecanoyloxy)phosphoryl]adenosine

QRT

QRT
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N3 O10 P
SMILES:	NC(=O)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C10H14N3O10P/c11-8(17)3-1-5(14)12-10(18)13(3)9-7(16)6(15)4(23-9)2-22-24(19,20)21/h1,4,6-7,9,15-16H,2H2,(H2,11,17)(H,12,14,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1
Definition date:	2020-07-31
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

OYW

OYW
Name:	4-Cl-Bn7GpppG mRNA 5' cap analog
Formula:	C27 H33 Cl N10 O18 P3
SMILES:	NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=Nc57)N)C(O)C3O
InChi:	InChI=1S/C27H32ClN10O18P3/c28-11-3-1-10(2-4-11)5-36-9-38(21-15(36)23(44)35-27(30)33-21)25-19(42)17(40)13(54-25)7-52-58(47,48)56-59(49,50)55-57(45,46)51-6-12-16(39)18(41)24(53-12)37-8-31-14-20(37)32-26(29)34-22(14)43/h1-4,8-9,12-13,16-19,24-25,39-42H,5-7H2,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t12?,13-,16?,17-,18?,19-,24?,25-/m1/s1
Synonyms:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Definition date:	2020-04-08
Last modified:	2021-03-13
Release date:	2020-06-10
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

DGS

DGS
Name:	3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose
Formula:	C6 H10 O8 S
SMILES:	O=S(=O)(O)OC1C2OCC(OC1O)C2O
InChi:	InChI=1S/C6H10O8S/c7-3-2-1-12-4(3)5(6(8)13-2)14-15(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3+,4+,5-,6+/m1/s1
Synonyms:	3,6-ANHYDRO-D-GALACTOSE-2-SULFATE
Definition date:	2001-01-24
Last modified:	2020-07-17
Identifier:	3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose

QRP

QRP
Name:	(3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Formula:	C16 H17 N3 O2
SMILES:	O=C1N4C(C(=O)NC1Cc3c2ccccc2nc3)CCC4
InChi:	InChI=1S/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14-/m0/s1
Synonyms:	Brevianamide F
Definition date:	2010-07-27
Last modified:	2020-05-27
Identifier:	(3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

BW9

BW9
Name:	Chromium Protoporphyrin IX
Formula:	C34 H32 Cr N4 O4
SMILES:	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Cr][N]5C(=CC6=NC(=Cc4c(C=C)c3C)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C34H34N4O4.Cr/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:	2019-03-19
Last modified:	2020-03-13
Release date:	2020-03-18

H2N

H2N
Name:	(2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
Formula:	C16 H19 F N2 O7 S
SMILES:	COc1ccc(c(F)c1)C2=CN(CC[C](C)(C(=O)NO)[S](C)(=O)=O)C(=O)O2
InChi:	InChI=1S/C16H19FN2O7S/c1-16(14(20)18-22,27(3,23)24)6-7-19-9-13(26-15(19)21)11-5-4-10(25-2)8-12(11)17/h4-5,8-9,22H,6-7H2,1-3H3,(H,18,20)/t16-/m1/s1
Definition date:	2018-11-09
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide

9VS

9VS
Name:	cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol
Formula:	C38 H43 N7 O3
SMILES:	OC1CCC(CC1)Nc7c(c3ccc(CN2CCN(C)CC2)cc3)cnc(Nc6ccc(C#Cc5nccc(C4OCCO4)c5)cc6)n7
InChi:	InChI=1S/C38H43N7O3/c1-44-18-20-45(21-19-44)26-28-2-7-29(8-3-28)35-25-40-38(43-36(35)41-31-12-14-34(46)15-13-31)42-32-9-4-27(5-10-32)6-11-33-24-30(16-17-39-33)37-47-22-23-48-37/h2-5,7-10,16-17,24-25,31,34,37,46H,12-15,18-23,26H2,1H3,(H2,40,41,42,43)/t31-,34+
Definition date:	2017-06-15
Last modified:	2019-09-06
Release date:	2019-09-11
Identifier:	cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol

93M

93M
Name:	(3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)
Formula:	C39 H59 N10 O21 P3 S
SMILES:	O=C(NCC(NC(CCCCNC(=O)CSCCNC(CCNC(=O)C(O)C(COP(OP(OCC3C(OP(O)(O)=O)C(C(n1cnc2c(N)ncnc12)O3)O)(O)=O)(O)=O)(C)C)=O)C(=O)O)=O)Cc4ccccc4
InChi:	InChI=1S/C39H59N10O21P3S/c1-39(2,20-67-73(64,65)70-72(62,63)66-18-25-32(69-71(59,60)61)31(54)37(68-25)49-22-47-30-34(40)45-21-46-35(30)49)33(55)36(56)43-13-11-26(50)42-14-15-74-19-29(53)41-12-7-6-10-24(38(57)58)48-28(52)17-44-27(51)16-23-8-4-3-5-9-23/h3-5,8-9,21-22,24-25,31-33,37,54-55H,6-7,10-20H2,1-2H3,(H,41,53)(H,42,50)(H,43,56)(H,44,51)(H,48,52)(H,57,58)(H,62,63)(H,64,65)(H2,40,45,46)(H2,59,60,61)/t24-,25+,31+,32+,33-,37+/m0/s1
Definition date:	2017-04-03
Last modified:	2017-07-21
Release date:	2017-07-26
Identifier:	(3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)

I28

I28
Name:	ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
Formula:	C24 H27 N O4
SMILES:	O=C(OCC)c1c3c(c(O)ccc3oc1c2ccccc2)CN4CCC(C)CC4
InChi:	InChI=1S/C24H27NO4/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17/h4-10,16,26H,3,11-15H2,1-2H3
Definition date:	2014-01-17
Last modified:	2017-06-30
Release date:	2017-07-05
Identifier:	ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate

4LX

4LX
Name:	N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide
Formula:	C50 H99 N O8 S
SMILES:	C(C(C(O)C(CCCCCCCCCCCCCC)O)NC(=S)CCCCCCCCCCCCCCCCCCCCCCCCC)OC1OC(CO)C(O)C(C1O)O
InChi:	InChI=1S/C50H99NO8S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(60)51-42(41-58-50-49(57)48(56)47(55)44(40-52)59-50)46(54)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-57H,3-41H2,1-2H3,(H,51,60)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1
Definition date:	2015-04-14
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide

Q1T

Q1T
Name:	3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE
Formula:	C19 H25 N5
SMILES:	CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
InChi:	InChI=1S/C19H25N5/c1-14-8-17(23-19(21)9-14)5-4-15-10-16(13-20)12-18(11-15)24(3)7-6-22-2/h8-12,22H,4-7H2,1-3H3,(H2,21,23)
Definition date:	2015-03-22
Last modified:	2015-06-19
Release date:	2015-06-24
Identifier:	3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]benzenecarbonitrile

1JP

1JP
Name:	D-gamma-glutamyl-(Z)-N-(carboxymethylidene)-S-[(2R)-2-hydroxy-4-phenylbutyl]-L-cysteinamide
Formula:	C20 H27 N3 O7 S
SMILES:	O=C(O)C(N)CCC(=O)NC(C(=O)/N=CC(=O)O)CSCC(O)CCc1ccccc1
InChi:	InChI=1S/C20H27N3O7S/c21-15(20(29)30)8-9-17(25)23-16(19(28)22-10-18(26)27)12-31-11-14(24)7-6-13-4-2-1-3-5-13/h1-5,10,14-16,24H,6-9,11-12,21H2,(H,23,25)(H,26,27)(H,29,30)/b22-10-/t14-,15-,16+/m1/s1
Definition date:	2013-02-19
Last modified:	2013-12-27
Release date:	2014-01-01
Identifier:	D-gamma-glutamyl-(Z)-N-(carboxymethylidene)-S-[(2R)-2-hydroxy-4-phenylbutyl]-L-cysteinamide

18P

18P
Name:	N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide
Formula:	C18 H18 Cl N5 O2
SMILES:	Clc1ccc(nc1)C(=O)Nc2cccc(c2)C3(N=C(N)CN(C3=O)C)C
InChi:	InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m1/s1
Definition date:	2011-10-13
Last modified:	2011-11-04
Identifier:	N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide

NZU

NZU
Name:	6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C17 H19 N7 O2 S
SMILES:	O=S(=O)(C)CCCNc1nc(nc2c1cnn2C)c3cccc4nncc34
InChi:	InChI=1S/C17H19N7O2S/c1-24-17-13(10-20-24)15(18-7-4-8-27(2,25)26)21-16(22-17)11-5-3-6-14-12(11)9-19-23-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,19,23)(H,18,21,22)
Definition date:	2010-07-21
Last modified:	2011-06-04
Identifier:	6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

GSU

GSU
Name:	O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE
Formula:	C15 H21 N7 O9 S
SMILES:	O=C(O)CCC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1
Definition date:	2005-06-06
Last modified:	2011-06-04
Identifier:	5'-O-(L-alpha-glutamylsulfamoyl)adenosine

238582

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