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PDB Info pages Status search Chemie search: 43993 results BIRD

QHQ

QHQ
Name:	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
Formula:	C22 H21 N3 O7 S
SMILES:	COc1cccc(c1)[S](=O)(=O)N(CC(O)=O)c2cccc(c2)n3ncc(C(O)=O)c3C4CC4
InChi:	InChI=1S/C22H21N3O7S/c1-32-17-6-3-7-18(11-17)33(30,31)24(13-20(26)27)15-4-2-5-16(10-15)25-21(14-8-9-14)19(12-23-25)22(28)29/h2-7,10-12,14H,8-9,13H2,1H3,(H,26,27)(H,28,29)
Definition date:	2020-06-17
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid

QHT

QHT
Name:	5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
Formula:	C23 H25 N3 O4 S
SMILES:	Cc1cc(C)c(C)c(c1C)[S](=O)(=O)Nc2cccc(c2)n3ncc(C(O)=O)c3C4CC4
InChi:	InChI=1S/C23H25N3O4S/c1-13-10-14(2)16(4)22(15(13)3)31(29,30)25-18-6-5-7-19(11-18)26-21(17-8-9-17)20(12-24-26)23(27)28/h5-7,10-12,17,25H,8-9H2,1-4H3,(H,27,28)
Definition date:	2020-06-17
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	5-cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid

QHW

QHW
Name:	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
Formula:	C25 H27 N3 O6 S
SMILES:	Cc1cc(C)c(C)c(c1C)[S](=O)(=O)N(CC(O)=O)c2cccc(c2)n3ncc(C(O)=O)c3C4CC4
InChi:	InChI=1S/C25H27N3O6S/c1-14-10-15(2)17(4)24(16(14)3)35(33,34)27(13-22(29)30)19-6-5-7-20(11-19)28-23(18-8-9-18)21(12-26-28)25(31)32/h5-7,10-12,18H,8-9,13H2,1-4H3,(H,29,30)(H,31,32)
Definition date:	2020-06-17
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid

QHZ

QHZ
Name:	1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
Formula:	C28 H25 N3 O7 S
SMILES:	COc1cccc(c1)[S](=O)(=O)N(CC(O)=O)c2cccc(c2)n3ncc(C(O)=O)c3[CH]4C[CH]4c5ccccc5
InChi:	InChI=1S/C28H25N3O7S/c1-38-21-11-6-12-22(14-21)39(36,37)30(17-26(32)33)19-9-5-10-20(13-19)31-27(25(16-29-31)28(34)35)24-15-23(24)18-7-3-2-4-8-18/h2-14,16,23-24H,15,17H2,1H3,(H,32,33)(H,34,35)/t23-,24+/m1/s1
Definition date:	2020-06-17
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid

QJ5

QJ5
Name:	5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
Formula:	C22 H23 N3 O4 S
SMILES:	CCCc1ccc(cc1)[S](=O)(=O)Nc2cccc(c2)n3ncc(C(O)=O)c3C4CC4
InChi:	InChI=1S/C22H23N3O4S/c1-2-4-15-7-11-19(12-8-15)30(28,29)24-17-5-3-6-18(13-17)25-21(16-9-10-16)20(14-23-25)22(26)27/h3,5-8,11-14,16,24H,2,4,9-10H2,1H3,(H,26,27)
Definition date:	2020-06-17
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	5-cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid

QMK

QMK
Name:	~{N}-[2-[1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,2,3-triazol-4-yl]ethyl]ethanamide
Formula:	C11 H19 N4 O8 P
SMILES:	CC(=O)NCCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C11H19N4O8P/c1-6(16)12-3-2-7-4-15(14-13-7)11-10(18)9(17)8(23-11)5-22-24(19,20)21/h4,8-11,17-18H,2-3,5H2,1H3,(H,12,16)(H2,19,20,21)/t8-,9-,10-,11-/m1/s1
Definition date:	2020-07-03
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-(2-acetamidoethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

R2F

R2F
Name:	2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate
Formula:	C41 H53 N5 O9
SMILES:	CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCn5cc(CO[CH]6O[CH](C)[CH](O)[CH](O)[CH]6O)nn5
InChi:	InChI=1S/C41H53N5O9/c1-6-44(7-2)28-14-16-32-34(22-28)55-35-23-29(45(8-3)9-4)15-17-33(35)36(32)30-12-10-11-13-31(30)40(50)52-21-20-51-19-18-46-24-27(42-43-46)25-53-41-39(49)38(48)37(47)26(5)54-41/h10-17,22-24,26,36-39,41,47-49H,6-9,18-21,25H2,1-5H3/t26-,37+,38+,39-,41+/m0/s1
Definition date:	2021-03-03
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	2-[2-[4-[[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9~{H}-xanthen-9-yl]benzoate

R3F

R3F
Name:	2-[2-[2-[4-[[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate
Formula:	C43 H57 N5 O10
SMILES:	CCN(CC)c1ccc2C(c3ccc(cc3Oc2c1)N(CC)CC)c4ccccc4C(=O)OCCOCCOCCn5cc(CO[CH]6O[CH](C)[CH](O)[CH](O)[CH]6O)nn5
InChi:	InChI=1S/C43H57N5O10/c1-6-46(7-2)30-14-16-34-36(24-30)58-37-25-31(47(8-3)9-4)15-17-35(37)38(34)32-12-10-11-13-33(32)42(52)55-23-22-54-21-20-53-19-18-48-26-29(44-45-48)27-56-43-41(51)40(50)39(49)28(5)57-43/h10-17,24-26,28,38-41,43,49-51H,6-9,18-23,27H2,1-5H3/t28-,39+,40+,41-,43+/m0/s1
Definition date:	2021-03-03
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	2-[2-[2-[4-[[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethyl 2-[3,6-bis(diethylamino)-9~{H}-xanthen-9-yl]benzoate

RAH

RAH
Name:	[(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid
Formula:	C6 H13 O11 P S
SMILES:	O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1C[S](O)(=O)=O
InChi:	InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6-/m1/s1
Synonyms:	6-deoxy-6-sulfo-D-fructose 1-phosphate
Definition date:	2020-09-22
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	[(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid

RB8

RB8
Name:	6-deoxy-6-sulfo-D-fructose
Formula:	C6 H12 O8 S
SMILES:	OC[C]1(O)O[CH](C[S](O)(=O)=O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6-/m1/s1
Synonyms:	[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid
Definition date:	2020-09-23
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid

TK8

TK8
Name:	D-xylonic acid
Formula:	C5 H10 O6
SMILES:	OC[CH](O)[CH](O)[CH](O)C(O)=O
InChi:	InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m1/s1
Synonyms:	(2~{R},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentanoic acid
Definition date:	2020-12-23
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	(2~{R},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentanoic acid

EQC

EQC
Name:	Arctigenin
Formula:	C21 H24 O6
SMILES:	COc1cc(C[CH]2[CH](COC2=O)Cc3ccc(OC)c(OC)c3)ccc1O
InChi:	InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
Synonyms:	(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one
Definition date:	2020-01-20
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	(3~{R},4~{R})-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one

G09

G09
Name:	2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
Formula:	C28 H31 N5 O2
SMILES:	CN1C[CH](C[CH](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4CC=C
InChi:	InChI=1S/C28H31N5O2/c1-3-15-33-27(34)26-25(13-14-29-26)31-28(33)30-23-16-22(17-32(2)18-23)21-9-11-24(12-10-21)35-19-20-7-5-4-6-8-20/h3-14,22-23,29H,1,15-19H2,2H3,(H,30,31)/t22-,23+/m0/s1
Definition date:	2020-07-14
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one

GBS

GBS
Name:	4-carbamimidamidobenzoic acid
Formula:	C8 H9 N3 O2
SMILES:	NC(=N)Nc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
Synonyms:	Nafamostat, bound form
Definition date:	1999-07-08
Last modified:	2021-04-09
Identifier:	4-carbamimidamidobenzoic acid

HHL

HHL
Name:	N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide
Formula:	C23 H21 Cl2 F N4 O4
SMILES:	COc1cc(OC)c(Cl)c(COc2cnc(Nc3c(C)cccc3NC(=O)C(F)=C)nc2)c1Cl
InChi:	InChI=1S/C23H21Cl2FN4O4/c1-12-6-5-7-16(29-22(31)13(2)26)21(12)30-23-27-9-14(10-28-23)34-11-15-19(24)17(32-3)8-18(33-4)20(15)25/h5-10H,2,11H2,1,3-4H3,(H,29,31)(H,27,28,30)
Definition date:	2021-01-12
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	~{N}-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide

HVU

HVU
Name:	3-(1-methylpiperidin-4-yl)-1H-indol-5-ol
Formula:	C14 H18 N2 O
SMILES:	CN1CCC(CC1)c2c[nH]c3ccc(O)cc23
InChi:	InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3
Definition date:	2021-02-15
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	3-(1-methylpiperidin-4-yl)-1~{H}-indol-5-ol

J40

J40
Name:	[(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E,8E)-hexadeca-5,8,11,14-tetraenoate
Formula:	C39 H68 O16 P2
SMILES:	CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CC
InChi:	InChI=1S/C39H68O16P2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-19-17-14-12-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)38(35(43)37(39)45)54-56(46,47)48/h3,5,9,11,15-16,20,22,31,34-39,42-45H,4,6-8,10,12-14,17-19,21,23-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b5-3?,11-9?,16-15+,22-20+/t31-,34-,35+,36-,37-,38+,39+/m1/s1
Definition date:	2021-04-02
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	[(2~{R})-1-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5~{E},8~{E})-hexadeca-5,8,11,14-tetraenoate

NNA

NNA
Name:	(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C36 H63 N5 O7 S
SMILES:	O=C(N3C(C(=O)NC(CCCC)C(O)C(=O)NC1CC1)C2C(C)(C2C3)C)C(NC(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(C)(C)C
InChi:	InChI=1S/C36H63N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-28,42H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,27+,28+/m0/s1
Synonyms:	Narlaprevir, bound form
Definition date:	2010-03-09
Last modified:	2021-04-06
Identifier:	(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

U5J

U5J
Name:	[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
Formula:	C13 H17 Hg N O6
SMILES:	c1cc(C(=O)NCC(C[Hg]O)OC)c(cc1)OCC(O)=O
InChi:	InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16
Definition date:	2020-04-23
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury

Y3G

Y3G
Name:	5-ethynylpyrimidine-2,4(1H,3H)-dione
Formula:	C6 H4 N2 O2
SMILES:	C#CC=1C(NC(NC=1)=O)=O
InChi:	InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)
Definition date:	2021-02-01
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	5-ethynylpyrimidine-2,4(1H,3H)-dione

U61

U61
Name:	2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol
Formula:	C23 H23 F N6 O4
SMILES:	c1c(ccc(c1)F)c2cn(nn2)CC3C(O)C(C(C(O3)CO)O)n4cc(nn4)c5ccccc5
InChi:	InChI=1S/C23H23FN6O4/c24-16-8-6-15(7-9-16)17-10-29(27-25-17)12-19-22(32)21(23(33)20(13-31)34-19)30-11-18(26-28-30)14-4-2-1-3-5-14/h1-11,19-23,31-33H,12-13H2/t19-,20+,21+,22-,23-/m0/s1
Definition date:	2020-04-23
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol

Y49

Y49
Name:	4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid
Formula:	C19 H13 N5 O4
SMILES:	NC(=O)c1nc(nc2N(C(=O)Nc12)c3ccccc3)c4ccc(cc4)C(O)=O
InChi:	InChI=1S/C19H13N5O4/c20-15(25)13-14-17(24(19(28)22-14)12-4-2-1-3-5-12)23-16(21-13)10-6-8-11(9-7-10)18(26)27/h1-9H,(H2,20,25)(H,22,28)(H,26,27)
Definition date:	2020-04-08
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7~{H}-purin-2-yl)benzoic acid

Z41

Z41
Name:	(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate
Formula:	C35 H68 O5
SMILES:	O=C(OC(CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
Definition date:	2012-12-17
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	(2S)-3-hydroxypropane-1,2-diyl dihexadecanoate

UK7

UK7
Name:	3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
Formula:	C18 H19 N3 O S
SMILES:	C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO)ccc3
InChi:	InChI=1S/C18H19N3OS/c19-10-12-4-5-15-16(11-21(6-7-22)17(15)8-12)13-2-1-3-14(9-13)18(20)23/h1-5,8-9,11,22H,6-7,10,19H2,(H2,20,23)
Definition date:	2020-05-19
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide

U7B

U7B
Name:	2'-deoxy-2'2'-difluorodeoxycytidine
Formula:	C9 H12 F2 N3 O7 P
SMILES:	NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)C2(F)F
InChi:	InChI=1S/C9H12F2N3O7P/c10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
Synonyms:	[(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
Definition date:	2021-01-27
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	[(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

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