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J0R
J0R
Name:[(2R)-1-(trimethyl-$l^4-azanyl)propan-2-yl] ethanoate
Formula:C8 H18 N O2
SMILES:C[CH](C[N](C)(C)C)OC(C)=O
InChi:InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/t7-/m1/s1
Definition date:2021-03-16
Last modified:2022-04-22
Release date:2022-04-27
Identifier:[(2~{R})-1-(trimethyl-$l^{4}-azanyl)propan-2-yl] ethanoate
J6R
J6R
Name:(2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid
Formula:C42 H66 F N5 O6 S
SMILES:CC[CH](C)[CH](NC(=O)[CH]1CCCCN1C)C(=O)N(CCCCC(C)C)[CH](C[CH](O)c2scc(n2)C(=O)N[CH](C[CH](C)C(O)=O)Cc3ccc(F)cc3)C(C)C
InChi:InChI=1S/C42H66FN5O6S/c1-9-28(6)37(46-39(51)34-15-11-12-20-47(34)8)41(52)48(21-13-10-14-26(2)3)35(27(4)5)24-36(49)40-45-33(25-55-40)38(50)44-32(22-29(7)42(53)54)23-30-16-18-31(43)19-17-30/h16-19,25-29,32,34-37,49H,9-15,20-24H2,1-8H3,(H,44,50)(H,46,51)(H,53,54)/t28-,29-,32+,34+,35+,36+,37-/m0/s1
Definition date:2021-04-16
Last modified:2022-04-22
Release date:2022-04-27
Identifier:(2~{S},4~{R})-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1~{R},3~{R})-4-methyl-3-[5-methylhexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid
05E
05E
Name:2-azanylethyl [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
Formula:C8 H18 N O9 P
SMILES:NCCO[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
InChi:InChI=1S/C8H18NO9P/c9-1-2-16-19(14,15)18-7-6(12)5(11)4(3-10)17-8(7)13/h4-8,10-13H,1-3,9H2,(H,14,15)/t4-,5-,6+,7+,8+/m1/s1
Definition date:2022-01-19
Last modified:2022-04-22
Release date:2022-04-27
Identifier:2-azanylethyl [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
DKB
DKB
Name:[(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] octadecanoate
Formula:C39 H78 N O8 P
SMILES:CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OCCN
InChi:InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m1/s1
Definition date:2022-04-13
Last modified:2022-04-22
Release date:2022-04-27
Identifier:[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] octadecanoate
06O
06O
Name:[(2~{R})-1-hexadecanoyloxy-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propan-2-yl] (9~{Z},11~{Z})-octadeca-9,11-dienoate
Formula:C59 H109 O14 P
SMILES:CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CC=CCCCCCC
InChi:InChI=1S/C59H109O14P/c1-4-7-10-13-16-19-22-25-26-29-32-34-37-40-43-46-52(61)71-50(48-69-51(60)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-70-74(67,68)73-59-57(66)55(64)54(63)56(65)58(59)72-53(62)47-44-41-38-35-31-28-24-21-18-15-12-9-6-3/h19,22,25-26,50,54-59,63-66H,4-18,20-21,23-24,27-49H2,1-3H3,(H,67,68)/b22-19-,26-25-/t50-,54+,55+,56-,57-,58-,59+/m1/s1
Definition date:2022-01-19
Last modified:2022-04-22
Release date:2022-04-27
Identifier:[(2~{R})-1-hexadecanoyloxy-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-hexadecanoyloxy-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propan-2-yl] (9~{Z},11~{Z})-octadeca-9,11-dienoate
E58
E58
Name:(2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate
Formula:C14 H11 N O8
SMILES:COC(=O)c1ccc(OC(=O)c2oc(cc2)[N+]([O-])=O)c(OC)c1
InChi:InChI=1S/C14H11NO8/c1-20-11-7-8(13(16)21-2)3-4-9(11)23-14(17)10-5-6-12(22-10)15(18)19/h3-7H,1-2H3
Definition date:2022-04-18
Last modified:2022-04-22
Release date:2022-04-27
Identifier:(2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate
E6I
E6I
Name:ethyl 4-bromanyl-5-nitro-furan-2-carboxylate
Formula:C7 H6 Br N O5
SMILES:CCOC(=O)c1oc(c(Br)c1)[N+]([O-])=O
InChi:InChI=1S/C7H6BrNO5/c1-2-13-7(10)5-3-4(8)6(14-5)9(11)12/h3H,2H2,1H3
Definition date:2022-04-18
Last modified:2022-04-22
Release date:2022-04-27
Identifier:ethyl 4-bromanyl-5-nitro-furan-2-carboxylate
E9B
E9B
Name:S-[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate
Formula:C15 H9 N3 O4 S2
SMILES:[O-][N+](=O)c1sc(cc1)C(=O)Sc2oc(C=Cc3ccccc3)nn2
InChi:InChI=1S/C15H9N3O4S2/c19-14(11-7-9-13(23-11)18(20)21)24-15-17-16-12(22-15)8-6-10-4-2-1-3-5-10/h1-9H/b8-6+
Definition date:2022-04-19
Last modified:2022-04-22
Release date:2022-04-27
Identifier:~{S}-[5-[(~{E})-2-phenylethenyl]-1,3,4-oxadiazol-2-yl] 5-nitrothiophene-2-carbothioate
8DW
8DW
Name:5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine
Formula:C22 H19 F N4 O5 S
SMILES:COc1ccc(O[S](F)(=O)=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C
InChi:InChI=1S/C22H19FN4O5S/c1-27(2)22(28)15-6-13(9-24-10-15)14-7-18-19(12-26-21(18)25-11-14)17-8-16(32-33(23,29)30)4-5-20(17)31-3/h4-12H,1-3H3,(H,25,26)
Definition date:2021-12-09
Last modified:2022-04-22
Release date:2022-04-27
Identifier:5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1~{H}-pyrrolo[2,3-b]pyridine
8IW
8IW
Name:5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide
Formula:C23 H20 N4 O4
SMILES:COc1cc(O)c(C=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C
InChi:InChI=1S/C23H20N4O4/c1-27(2)23(30)15-4-13(8-24-9-15)14-5-18-19(11-26-22(18)25-10-14)17-6-16(12-28)20(29)7-21(17)31-3/h4-12,29H,1-3H3,(H,25,26)
Definition date:2021-12-17
Last modified:2022-04-22
Release date:2022-04-27
Identifier:5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide
L7C
L7C
Name:(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide
Formula:C19 H20 F N3 O2
SMILES:O=C(Nc1ccccn1)C1CCN(C1)C(=O)CCc1ccccc1F
InChi:InChI=1S/C19H20FN3O2/c20-16-6-2-1-5-14(16)8-9-18(24)23-12-10-15(13-23)19(25)22-17-7-3-4-11-21-17/h1-7,11,15H,8-10,12-13H2,(H,21,22,25)/t15-/m1/s1
Definition date:2022-02-28
Last modified:2022-04-22
Release date:2022-04-27
Identifier:(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide
L7I
L7I
Name:5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine
Formula:C14 H15 F N4 O2 S
SMILES:O=S(C)(=O)N1CC(C1)c1nc(N)ncc1c1ccc(F)cc1
InChi:InChI=1S/C14H15FN4O2S/c1-22(20,21)19-7-10(8-19)13-12(6-17-14(16)18-13)9-2-4-11(15)5-3-9/h2-6,10H,7-8H2,1H3,(H2,16,17,18)
Definition date:2022-02-28
Last modified:2022-04-22
Release date:2022-04-27
Identifier:5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine
L7R
L7R
Name:3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide
Formula:C15 H18 F N5 O2 S
SMILES:O=S(=O)(N(C)C)N1CC(C1)c1nc(N)ncc1c1ccc(F)cc1
InChi:InChI=1S/C15H18FN5O2S/c1-20(2)24(22,23)21-8-11(9-21)14-13(7-18-15(17)19-14)10-3-5-12(16)6-4-10/h3-7,11H,8-9H2,1-2H3,(H2,17,18,19)
Definition date:2022-02-28
Last modified:2022-04-22
Release date:2022-04-27
Identifier:3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide
L7W
L7W
Name:(3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide
Formula:C18 H18 F N3 O3
SMILES:O=C(Nc1ccccn1)C1CCN(C1)C(=O)COc1ccccc1F
InChi:InChI=1S/C18H18FN3O3/c19-14-5-1-2-6-15(14)25-12-17(23)22-10-8-13(11-22)18(24)21-16-7-3-4-9-20-16/h1-7,9,13H,8,10-12H2,(H,20,21,24)/t13-/m0/s1
Definition date:2022-02-28
Last modified:2022-04-22
Release date:2022-04-27
Identifier:(3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide
JB0
JB0
Name:(6~{R})-3-methyl-8-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{R},5~{R},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-1,6,11-tris(oxidanyl)-5,6-dihydrobenzo[a]anthracene-7,12-dione
Formula:C55 H74 O22
SMILES:C[CH]1O[CH](CC[CH]1O)O[CH]2C[CH](O[CH](C)[CH]2O)O[CH]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[CH](O[CH]4C)O[CH]5C[CH](O[CH](C)[CH]5O)O[CH]6[CH](O)C[CH](O[CH]6C)Oc7ccc(O)c8C(=O)C9=C([CH](O)Cc%10cc(C)cc(O)c9%10)C(=O)c78
InChi:InChI=1S/C55H74O22/c1-21-14-28-16-32(59)47-49(45(28)31(58)15-21)53(65)46-30(57)8-10-36(48(46)52(47)64)73-42-18-34(61)55(27(7)71-42)77-44-20-38(51(63)25(5)69-44)75-40-13-11-35(23(3)67-40)72-41-17-33(60)54(26(6)70-41)76-43-19-37(50(62)24(4)68-43)74-39-12-9-29(56)22(2)66-39/h8,10,14-15,22-27,29,32-35,37-44,50-51,54-63H,9,11-13,16-20H2,1-7H3/t22-,23-,24+,25+,26+,27+,29-,32+,33+,34+,35-,37-,38+,39-,40-,41-,42-,43-,44-,50-,51+,54+,55+/m0/s1
Definition date:2021-05-11
Last modified:2022-04-22
Release date:2022-04-27
Identifier:(6~{R})-3-methyl-8-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{R},5~{R},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-1,6,11-tris(oxidanyl)-5,6-dihydrobenzo[a]anthracene-7,12-dione
D4C
D4C
Name:7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
Formula:C17 H14 F N5
SMILES:Nc1nc(N)c2c(ccc3n(Cc4ccccc4F)ccc23)n1
InChi:InChI=1S/C17H14FN5/c18-12-4-2-1-3-10(12)9-23-8-7-11-14(23)6-5-13-15(11)16(19)22-17(20)21-13/h1-8H,9H2,(H4,19,20,21,22)
Definition date:2019-06-21
Last modified:2022-04-22
Release date:2022-04-27
Identifier:7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
M4U
M4U
Name:(5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one
Formula:C28 H28 F3 N5 O3
SMILES:FC(F)(F)c1nn(C)cc1c1cc(Cn2ccnc2C)cc2C(=O)N(Cc3cc(OC)cc(OC)c3)CCc12
InChi:InChI=1S/C28H28F3N5O3/c1-17-32-6-8-35(17)14-19-11-23(25-16-34(2)33-26(25)28(29,30)31)22-5-7-36(27(37)24(22)12-19)15-18-9-20(38-3)13-21(10-18)39-4/h6,8-13,16H,5,7,14-15H2,1-4H3
Definition date:2022-03-14
Last modified:2022-04-22
Release date:2022-04-27
Identifier:(5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one
44H
44H
Name:D-Mannitol-1-phosphate
Formula:C6 H15 O9 P
SMILES:O=P(OCC(O)C(O)C(O)C(O)CO)(O)O
InChi:InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
Synonyms:1-O-phosphono-D-mannitol
Definition date:2015-02-11
Last modified:2022-04-22
Release date:2022-04-27
Identifier:1-O-phosphono-D-mannitol
4I2
4I2
Name:N-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide
Formula:C18 H14 F3 N3 O S
SMILES:CC(=O)Nc1ccc(cc1)c1csc(Nc2cccc(c2)C(F)(F)F)n1
InChi:InChI=1S/C18H14F3N3OS/c1-11(25)22-14-7-5-12(6-8-14)16-10-26-17(24-16)23-15-4-2-3-13(9-15)18(19,20)21/h2-10H,1H3,(H,22,25)(H,23,24)
Definition date:2021-07-08
Last modified:2022-04-22
Release date:2022-04-27
Identifier:N-(4-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}phenyl)acetamide
J5F
J5F
Name:(1R,2R)-N-[(2S,3S)-2-azanyl-3-methyl-pentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide
Formula:C30 H37 N3 O
SMILES:CCCc1ccc(cc1)c2ccc(cc2)N(C[CH](N)[CH](C)CC)C(=O)[CH]3C[CH]3c4ccccn4
InChi:InChI=1S/C30H37N3O/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3/t21-,26+,27+,28+/m0/s1
Definition date:2021-04-09
Last modified:2022-04-18
Release date:2022-04-13
Identifier:(1~{R},2~{R})-~{N}-[(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]-~{N}-[4-(4-propylphenyl)phenyl]-2-pyridin-2-yl-cyclopropane-1-carboxamide
V3H
V3H
Name:(2R,4S)-2-[(1R)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid
Formula:C23 H30 N3 O6 S
SMILES:CCCCOC(=O)[CH](NC(=O)c1c(C)onc1c2ccccc2)[CH]3[NH2+][CH](C(O)=O)C(C)(C)S3
InChi:InChI=1S/C23H29N3O6S/c1-5-6-12-31-22(30)17(20-25-18(21(28)29)23(3,4)33-20)24-19(27)15-13(2)32-26-16(15)14-10-8-7-9-11-14/h7-11,17-18,20,25H,5-6,12H2,1-4H3,(H,24,27)(H,28,29)/p+1/t17-,18-,20+/m0/s1
Synonyms:Hydrolyzed Oxacillin
Definition date:2021-04-09
Last modified:2022-04-15
Release date:2022-04-20
Identifier:(2~{R},4~{S})-2-[(1~{R})-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid
V4T
V4T
Name:1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2
Formula:C24 H21 Cl F2 N4 O3
SMILES:C[CH]1CN2[CH](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C
InChi:InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1
Synonyms:146250992
Definition date:2021-04-12
Last modified:2022-04-15
Release date:2022-04-20
V52
V52
Name:1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
Formula:C24 H23 Cl N6 O2
SMILES:CCC(=O)N1CCN2[CH](COc3c(Cl)c(cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1
InChi:InChI=1S/C24H23ClN6O2/c1-3-19(32)30-6-7-31-14(10-30)11-33-23-21-18(26-12-27-24(21)31)8-15(22(23)25)20-13(2)4-5-17-16(20)9-28-29-17/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,28,29)/t14-/m0/s1
Definition date:2021-04-14
Last modified:2022-04-15
Release date:2022-04-20
VLE
VLE
Name:1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one
Formula:C25 H25 Cl N6 O2
SMILES:CCC(=O)N1CCN2[CH](CCOc3c(Cl)c(cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1
InChi:InChI=1S/C25H25ClN6O2/c1-3-20(33)31-7-8-32-15(12-31)6-9-34-24-22-19(27-13-28-25(22)32)10-16(23(24)26)21-14(2)4-5-18-17(21)11-29-30-18/h4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,29,30)/t15-/m0/s1
Definition date:2021-05-27
Last modified:2022-04-15
Release date:2022-04-20
V7K
V7K
Name:(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Formula:C16 H18 N6 O9 S
SMILES:N[CH](CCC(=O)N[CH](CSc1ccc(c2nonc12)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
InChi:InChI=1S/C16H18N6O9S/c17-7(16(27)28)1-4-11(23)19-8(15(26)18-5-12(24)25)6-32-10-3-2-9(22(29)30)13-14(10)21-31-20-13/h2-3,7-8H,1,4-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-/m0/s1
Definition date:2021-04-23
Last modified:2022-04-15
Release date:2022-04-20
Identifier:(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

223790

數據於2024-08-14公開中

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