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V6A
V6A
Name:selinexor, bound form
Formula:C17 H13 F6 N7 O
SMILES:c3n(CCC(NNc1cnccn1)=O)nc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n3
InChi:InChI=1S/C17H13F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h2-3,5-9H,1,4H2,(H,25,27)(H,28,31)
Synonyms:3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyrazin-2-yl)propanehydrazide
Definition date:2020-07-06
Last modified:2021-03-13
Release date:2021-01-27
Identifier:3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-N'-(pyrazin-2-yl)propanehydrazide
ZZ4
ZZ4
Name:4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine
Formula:C16 H11 Cl2 N5
SMILES:Clc1ccc(c(Cl)c1)c3nc(ncc3/N=N/c2ccccc2)N
InChi:InChI=1S/C16H11Cl2N5/c17-10-6-7-12(13(18)8-10)15-14(9-20-16(19)21-15)23-22-11-4-2-1-3-5-11/h1-9H,(H2,19,20,21)/b23-22+
Synonyms:4-(2,4-DICHLORO-PHEYL)-5-PHENYLAZO-PYRIMIDIN-2YLAMINE
Definition date:2009-05-08
Last modified:2021-03-13
Identifier:4-(2,4-dichlorophenyl)-5-[(E)-phenyldiazenyl]pyrimidin-2-amine
TYU
TYU
Name:TETRAHYDROURIDINE
Formula:C9 H16 N2 O6
SMILES:O=C1N(CCC(O)N1)C2OC(C(O)C2O)CO
InChi:InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:1-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE
Definition date:2004-11-11
Last modified:2021-03-13
Identifier:(4R)-4-hydroxy-1-beta-D-ribofuranosyltetrahydropyrimidin-2(1H)-one
SQZ
SQZ
Name:5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole
Formula:C24 H16 F N5 O
SMILES:C[CH](n1nnc2cnc3ccc(cc3c12)c4ccc5ocnc5c4)c6ccc(F)cc6
InChi:InChI=1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1
Synonyms:(S)-5-(1-(1-(4-fluorophenyl)ethyl)-1H-[1,2,3]triazolo[4,5-c]quinolin-8-yl)benzo[d]oxazole
Definition date:2017-03-08
Last modified:2021-03-13
Release date:2017-08-16
Identifier:5-[1-[(1~{S})-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole
QQ4
QQ4
Name:Hexa Vinylpyrrolidone K15
Formula:C36 H56 N6 O6
SMILES:C(CC(CC(N1CCCC1=O)CC(N2C(CCC2)=O)CC(N3CCCC3=O)CC(C)N4CCCC4=O)N5CCCC5=O)N6CCCC6=O
InChi:InChI=1S/C36H56N6O6/c1-26(38-16-3-9-32(38)44)22-28(40-18-5-11-34(40)46)24-30(42-20-7-13-36(42)48)25-29(41-19-6-12-35(41)47)23-27(39-17-4-10-33(39)45)14-21-37-15-2-8-31(37)43/h26-30H,2-25H2,1H3/t26-,27-,28+,29-,30-/m1/s1
Synonyms:1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one)
Definition date:2019-12-06
Last modified:2021-03-13
Release date:2020-12-09
Identifier:1,1',1'',1''',1'''',1'''''-[(3R,5R,7R,9S,11R)-dodecane-1,3,5,7,9,11-hexayl]hexa(pyrrolidin-2-one)
TZA
TZA
Name:TRANS-AMICLENOMYCIN
Formula:C10 H16 N2 O2
SMILES:O=C(O)C(N)CCC1C=CC(N)C=C1
InChi:InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8-,9-/m0/s1
Synonyms:2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID
Definition date:2002-09-11
Last modified:2021-03-13
Identifier:(2S)-2-amino-4-(trans-4-aminocyclohexa-2,5-dien-1-yl)butanoic acid
RX8
RX8
Name:1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
Formula:C17 H22 N4 O2
SMILES:n3c1ccccc1c2c(nc(n2CC(O)(C)C)COCC)c3N
InChi:InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)
Synonyms:R848
Definition date:2013-01-22
Last modified:2021-03-13
Release date:2013-04-03
Identifier:1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
TL1
TL1
Name:2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL
Formula:C20 H22 N4 O4
SMILES:O(c1cc(C(=[N@H])N)ccc1)C3C4OCC(Oc2cc(C(=[N@H])N)ccc2)C4OC3
InChi:InChI=1S/C20H22N4O4/c21-19(22)11-3-1-5-13(7-11)27-15-9-25-18-16(10-26-17(15)18)28-14-6-2-4-12(8-14)20(23)24/h1-8,15-18H,9-10H2,(H3,21,22)(H3,23,24)/t15-,16+,17-,18-/m1/s1
Synonyms:2,5-O,O-BIS-(3',3"-AMIDINOPHENYL)-1,4:3,6-DIANHYDRO-D-SORBITOL
Definition date:2004-12-08
Last modified:2021-03-13
Identifier:1,4:3,6-dianhydro-2,5-bis-O-(3-carbamimidoylphenyl)-D-glucitol
XGU
XGU
Name:2-AMINO-9-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE
Formula:C11 H16 N5 O7 P
SMILES:O=C2NC(=Nc1n(cnc12)C3OC(C(O)CC3)COP(=O)(O)O)N
InChi:InChI=1S/C11H16N5O7P/c12-11-14-9-8(10(18)15-11)13-4-16(9)7-2-1-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,1-3H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1
Synonyms:2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL GUANINE
Definition date:2006-06-20
Last modified:2021-03-13
Identifier:2-amino-9-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-1,9-dihydro-6H-purin-6-one
NUB
NUB
Name:1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one
Formula:C20 H23 N3 O2
SMILES:CN1C=C(C=C(C)C1=O)c2nc3ccccc3n2CC4CCOCC4
InChi:InChI=1S/C20H23N3O2/c1-14-11-16(13-22(2)20(14)24)19-21-17-5-3-4-6-18(17)23(19)12-15-7-9-25-10-8-15/h3-6,11,13,15H,7-10,12H2,1-2H3
Synonyms:1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
Definition date:2019-12-16
Last modified:2021-03-13
Release date:2020-01-15
Identifier:1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one
R5A
R5A
Name:RUTHENIUM WIRE, 5 CARBON LINKER
Formula:C45 H61 N7 O Ru
SMILES:O(c1cccc(N(C)C)c1)CCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10
InChi:InChI=1S/C25H27N3O.C10H18N2.C10H16N2.Ru/c1-28(2)21-10-6-11-22(18-21)29-17-5-3-4-8-19-14-16-27-25-23(19)13-12-20-9-7-15-26-24(20)25
Synonyms:BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[5-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)PENTYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM
Definition date:2006-02-21
Last modified:2021-03-13
Identifier:[(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[5-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)pentyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium
X22
X22
Name:(3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
Formula:C28 H36 N4 O4
SMILES:O=C(NC(c1ccccc1)c2ccccc2)C4N3C(=O)C(NC(=O)C(N)CC)C(CCC3CC4)CO
InChi:InChI=1S/C28H36N4O4/c1-2-22(29)26(34)31-25-20(17-33)13-14-21-15-16-23(32(21)28(25)36)27(35)30-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25,33H,2,13-17,29H2,1H3,(H,30,35)(H,31,34)/t20-,21+,22+,23+,25+/m1/s1
Synonyms:2(S),3(S),6(S),7(S),9a(S) 6-(2-Amino-butyrylamino)-7-hydroxymethyl-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid benzhydryl-amide
Definition date:2008-03-21
Last modified:2021-03-13
Identifier:(3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
NUH
NUH
Name:5-(3-methoxyphenyl)-1-methyl-pyridin-2-one
Formula:C13 H13 N O2
SMILES:COc1cccc(c1)C2=CN(C)C(=O)C=C2
InChi:InChI=1S/C13H13NO2/c1-14-9-11(6-7-13(14)15)10-4-3-5-12(8-10)16-2/h3-9H,1-2H3
Synonyms:5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Definition date:2019-12-16
Last modified:2021-03-13
Release date:2020-01-15
Identifier:5-(3-methoxyphenyl)-1-methyl-pyridin-2-one
X23
X23
Name:(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
Formula:C28 H37 N5 O3
SMILES:O=C(NC(c1ccccc1)c2ccccc2)C4N3C(=O)C(NC(=O)C(N)CC)C(CCC3CC4)CN
InChi:InChI=1S/C28H37N5O3/c1-2-22(30)26(34)32-25-20(17-29)13-14-21-15-16-23(33(21)28(25)36)27(35)31-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25H,2,13-17,29-30H2,1H3,(H,31,35)(H,32,34)/t20-,21+,22+,23+,25+/m1/s1
Synonyms:2(S),3(S),6(S),7(S),9a(S) 6-(2-Amino-butyrylamino)-7-aminomethyl-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid benzhydryl-amide
Definition date:2008-03-21
Last modified:2021-03-13
Identifier:(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
QQX
QQX
Name:[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol
Formula:C10 H12 N5 O5 P S
SMILES:S=P1(OC2C(OC(C2O1)CO)n3c4ncnc(N)c4nc3)O
InChi:InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)18-10)19-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21+/m1/s1
Synonyms:ADENOSINE-2',3'-CYCLOPHOSPHOROTHIOATE
Definition date:2012-10-30
Last modified:2021-03-13
Release date:2013-07-10
Identifier:(2S,3aR,4R,6R,6aR)-4-(6-amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-sulfide
RXR
RXR
Name:[2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical
Formula:C10 H18 N O S2
SMILES:ON1C(C(=C(CS)C1(C)C)CS)(C)C
InChi:InChI=1S/C10H19NOS2/c1-9(2)7(5-13)8(6-14)10(3,4)11(9)12/h12-14H,5-6H2,1-4H3
Synonyms:3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical
Definition date:2010-01-08
Last modified:2021-03-13
Identifier:2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-ol
R5W
R5W
Name:3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
Formula:C15 H18 N6 O
SMILES:Cc1nnc2n1cccc2NC(=O)CCC3(CCC#C)NN3
InChi:InChI=1S/C15H18N6O/c1-3-4-8-15(19-20-15)9-7-13(22)16-12-6-5-10-21-11(2)17-18-14(12)21/h1,5-6,10,19-20H,4,7-9H2,2H3,(H,16,22)
Synonyms:3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
Definition date:2020-09-02
Last modified:2021-03-13
Release date:2020-10-21
Identifier:3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
NUW
NUW
Name:2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide
Formula:C25 H30 N4 O3
SMILES:CNC(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1)c4cc(C)c(O)c(C)c4
InChi:InChI=1S/C25H30N4O3/c1-15-11-20(12-16(2)23(15)31)24-27-21-13-19(25(32)26-4)5-6-22(21)29(24)14-18-7-9-28(10-8-18)17(3)30/h5-6,11-13,18,31H,7-10,14H2,1-4H3,(H,26,32)
Synonyms:1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
Definition date:2019-12-16
Last modified:2021-03-13
Release date:2020-01-15
Identifier:2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide
SDF
SDF
Name:[(R)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid
Formula:C7 H7 Cl2 O3 P S
SMILES:Clc1cc(Cl)ccc1C(S)P(=O)(O)O
InChi:InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,7,14H,(H2,10,11,12)/t7-/m1/s1
Synonyms:alpha-Sulfanyl(2,4-dichlorobenzyl)phosphonic acid
Definition date:2009-08-19
Last modified:2021-03-13
Identifier:[(R)-(2,4-dichlorophenyl)(sulfanyl)methyl]phosphonic acid
X2O
X2O
Name:(2R)-2-AMINO-3-[(2R)-2-METHYL-1,1-DIPHENYL-BUTYL]SULFANYL-PROPANOIC ACID
Formula:C20 H25 N O2 S
SMILES:O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)C(C)CC
InChi:InChI=1S/C20H25NO2S/c1-3-15(2)20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-18(21)19(22)23/h4-13,15,18H,3,14,21H2,1-2H3,(H,22,23)/t15-,18+/m1/s1
Synonyms:S-[(2R)-2-METHYL-1,1-DIPHENYLBUTYL]-L-CYSTEINE
Definition date:2010-01-15
Last modified:2021-03-13
Identifier:S-[(2R)-2-methyl-1,1-diphenylbutyl]-L-cysteine
SDN
SDN
Name:[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid
Formula:C16 H14 O5
SMILES:O=C2c1c(O)cccc1C=C3C2=C(OC(C3)CC(=O)O)C
InChi:InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1
Synonyms:4,10-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho-[2,3-c]-pyran-3-(S)-acetic acid
Definition date:2007-11-30
Last modified:2021-03-13
Identifier:[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid
TMJ
TMJ
Name:N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Formula:C15 H15 Cl N2 O2 S
SMILES:Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNCC3
InChi:InChI=1S/C15H15ClN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2
Synonyms:7-(N-4-CHLOROPHENYL-AMINSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
Definition date:2007-01-26
Last modified:2021-03-13
Identifier:N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
RKS
RKS
Name:methyl N~6~-acetyl-N~2~-[(2,3-dihydroxyphenyl)carbonyl]-N~6~-hydroxy-D-lysyl-N~6~-acetyl-N~6~-hydroxy-L-lysinate
Formula:C24 H36 N4 O10
SMILES:O=C(OC)C(NC(=O)C(NC(=O)c1cccc(O)c1O)CCCCN(O)C(=O)C)CCCCN(O)C(=O)C
InChi:InChI=1S/C24H36N4O10/c1-15(29)27(36)13-6-4-10-18(25-22(33)17-9-8-12-20(31)21(17)32)23(34)26-19(24(35)38-3)11-5-7-14-28(37)16(2)30/h8-9,12,18-19,31-32,36-37H,4-7,10-11,13-14H2,1-3H3,(H,25,33)(H,26,34)/t18-,19+/m1/s1
Synonyms:2,3-catecholamide bis-lysine(hydroxamate) methyl ester
Definition date:2009-06-19
Last modified:2021-03-13
Identifier:methyl N~6~-acetyl-N~2~-[(2,3-dihydroxyphenyl)carbonyl]-N~6~-hydroxy-D-lysyl-N~6~-acetyl-N~6~-hydroxy-L-lysinate
VOR
VOR
Name:Voriconazole
Formula:C16 H14 F3 N5 O
SMILES:Fc1cncnc1C(C(O)(c2ccc(F)cc2F)Cn3ncnc3)C
InChi:InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
Synonyms:(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Definition date:2010-04-01
Last modified:2021-03-13
Identifier:(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
YXS
YXS
Name:(2S)-sulfonatepropionyl-CoA
Formula:C24 H40 N7 O20 P3 S2
SMILES:O=P(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(S(O)(=O)=O)C)(O)=O)(O)=O)(O)O
InChi:InChI=1S/C24H40N7O20P3S2/c1-12(56(44,45)46)23(36)55-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-48-54(42,43)51-53(40,41)47-8-13-17(50-52(37,38)39)16(33)22(49-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)(H,44,45,46)/t12-,13+,16+,17+,18-,22+/m0/s1
Synonyms:(2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propane-2-sulfonic acid
Definition date:2019-02-25
Last modified:2021-03-13
Release date:2019-04-10
Identifier:(3S,5R,9R,20S)-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-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicosane-20-sulfonic acid 3,5-dioxide (non-preferred name)

223790

數據於2024-08-14公開中

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