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OJR

OJR
Name:	(2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Formula:	C24 H31 N7 O2 S
SMILES:	NS(=O)(=O)c1c(ccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)CC1CCNCC1
InChi:	InChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31)
Definition date:	2022-05-09
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide

OK0

OK0
Name:	(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide
Formula:	C19 H19 F3 N6 O2 S
SMILES:	FC(F)(F)c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1
InChi:	InChI=1S/C19H19F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h1-6,12,24H,7-10H2,(H2,23,29,30)(H,25,26,27,28)
Definition date:	2022-05-09
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide

OKC

OKC
Name:	(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Formula:	C18 H20 N6 O2 S
SMILES:	NS(=O)(=O)c1cccc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1
InChi:	InChI=1S/C18H20N6O2S/c19-27(25,26)16-3-1-2-15(17(16)18-21-23-24-22-18)14-6-4-12(5-7-14)13-8-10-20-11-9-13/h1-7,13,20H,8-11H2,(H2,19,25,26)(H,21,22,23,24)
Definition date:	2022-05-09
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide

P5O

P5O
Name:	5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol
Formula:	C15 H14 O4
SMILES:	COc1cc(ccc1O)C=Cc2cc(O)cc(O)c2
InChi:	InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
Definition date:	2023-03-03
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol

R1R

R1R
Name:	[2-[2-[[1-[4-[(1S)-1-[[5-fluoranyl-4-[(4S)-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]piperidin-4-yl]sulfamoyl]ethylsulfanylmethyl]-3-oxidanylidene-propyl]-trimethyl-azanium
Formula:	C32 H49 F N7 O5 S2
SMILES:	CC(C)[CH]1COC(=O)N1c2nc(N[CH](C)c3ccc(cc3)N4CCC(CC4)N[S](=O)(=O)CCSCC(C[N+](C)(C)C)C=O)ncc2F
InChi:	InChI=1S/C32H49FN7O5S2/c1-22(2)29-20-45-32(42)39(29)30-28(33)17-34-31(36-30)35-23(3)25-7-9-27(10-8-25)38-13-11-26(12-14-38)37-47(43,44)16-15-46-21-24(19-41)18-40(4,5)6/h7-10,17,19,22-24,26,29,37H,11-16,18,20-21H2,1-6H3,(H,34,35,36)/q+1/t23-,24?,29+/m0/s1
Definition date:	2022-11-22
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	[2-[2-[[1-[4-[(1~{S})-1-[[5-fluoranyl-4-[(4~{S})-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]piperidin-4-yl]sulfamoyl]ethylsulfanylmethyl]-3-oxidanylidene-propyl]-trimethyl-azanium

SWR

SWR
Name:	N'-(4-chlorophenyl)-N-[(4R)-3-(4-chlorophenyl)-5,5-dimethyl-1-(2-{(2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-2-oxoethyl)-2-oxoimidazolidin-4-yl]-N-hydroxyurea
Formula:	C27 H26 Cl2 N7 O7
SMILES:	O=N(=O)c1ccc(/C=C/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)C(N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)o1
InChi:	InChI=1S/C27H25Cl2N7O7/c1-27(2)24(35(40)25(38)31-19-9-5-17(28)6-10-19)34(20-11-7-18(29)8-12-20)26(39)33(27)16-22(37)32-30-15-3-4-21-13-14-23(43-21)36(41)42/h3-15,24,40-41H,16H2,1-2H3,(H-,31,32,37,38)/q-1/p+1/b4-3+,30-15+/t24-/m1/s1
Synonyms:	Eeyarestatin I
Definition date:	2022-07-13
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	N'-(4-chlorophenyl)-N-[(4R)-3-(4-chlorophenyl)-5,5-dimethyl-1-(2-{(2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-2-oxoethyl)-2-oxoimidazolidin-4-yl]-N-hydroxyurea

SXF

SXF
Name:	[(1~{S},3~{R},4~{S},5~{R},6~{R},8~{R},10~{S},23~{R},24~{R},25~{R},26~{R})-5-acetyloxy-6-methyl-4,26-bis(oxidanyl)-17,20-bis(oxidanylidene)-10-pentyl-24-[(~{E})-3-phenylprop-2-enoyl]oxy-2,7,9,21,27-pentaoxatricyclo[21.3.1.0^{3,8}]heptacosan-25-yl] (~{E})-2-methylbut-2-enoate
Formula:	C44 H62 O15
SMILES:	CC=C(/C)C(=O)OC1C(OC(=O)/C=C/c2ccccc2)C2COC(=O)CCC(=O)CCCCCCC(CCCCC)OC3OC(C)C(OC(C)=O)C(O)C3OC(O2)C1O
InChi:	InChI=1S/C44H62O15/c1-6-8-12-20-32-21-16-10-9-15-19-31(46)23-25-34(47)52-26-33-39(57-35(48)24-22-30-17-13-11-14-18-30)40(58-42(51)27(3)7-2)37(50)43(56-33)59-41-36(49)38(54-29(5)45)28(4)53-44(41)55-32/h7,11,13-14,17-18,22,24,28,32-33,36-41,43-44,49-50H,6,8-10,12,15-16,19-21,23,25-26H2,1-5H3/b24-22+,27-7+/t28-,32+,33-,36+,37-,38+,39-,40-,41-,43+,44+/m1/s1
Synonyms:	Ipomoeassin F
Definition date:	2022-07-13
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(1S,3R,4S,5R,6R,8R,10S,23R,24R,25R,26R)-5-(acetyloxy)-4,26-dihydroxy-6-methyl-17,20-dioxo-10-pentyl-24-{[(2E)-3-phenylprop-2-enoyl]oxy}-2,7,9,21,27-pentaoxatricyclo[21.3.1.0~3,8~]heptacosan-25-yl (2E)-2-methylbut-2-enoate (non-preferred name)

SXU

SXU
Name:	9-benzyl-1,5-bis(4-methylbenzene-1-sulfonyl)-3-methylidene-1,5,9-triazacyclododecane
Formula:	C31 H39 N3 O4 S2
SMILES:	Cc1ccc(cc1)S(=O)(=O)N1CCCN(CCCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
InChi:	InChI=1S/C31H39N3O4S2/c1-26-11-15-30(16-12-26)39(35,36)33-21-7-19-32(25-29-9-5-4-6-10-29)20-8-22-34(24-28(3)23-33)40(37,38)31-17-13-27(2)14-18-31/h4-6,9-18H,3,7-8,19-25H2,1-2H3
Synonyms:	Cyclotriazadisulfonamide
Definition date:	2022-07-13
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	9-benzyl-1,5-bis(4-methylbenzene-1-sulfonyl)-3-methylidene-1,5,9-triazacyclododecane

SYL

SYL
Name:	(1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol
Formula:	C17 H27 N O2
SMILES:	CNCCC(O)c1cc(OCC2CCCCC2)ccc1
InChi:	InChI=1S/C17H27NO2/c1-18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h5,8-9,12,14,17-19H,2-4,6-7,10-11,13H2,1H3/t17-/m1/s1
Definition date:	2022-07-13
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol

FD0

FD0
Name:	2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid
Formula:	C29 H43 N7 O8
SMILES:	CCC(=O)N(C1CCN(CCNC(=O)CCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(O)=O)CC1)c2ccccc2
InChi:	InChI=1S/C29H43N7O8/c1-2-28(42)36(21-7-4-3-5-8-21)22-11-14-35(15-12-22)16-13-30-23(37)9-6-10-24(38)31-17-25(39)32-18-26(40)33-19-27(41)34-20-29(43)44/h3-5,7-8,22H,2,6,9-20H2,1H3,(H,30,37)(H,31,38)(H,32,39)(H,33,40)(H,34,41)(H,43,44)
Definition date:	2022-01-20
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid

I2R

I2R
Name:	(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
Formula:	C18 H12 N2 O2
SMILES:	OC(=O)C(=Cc1cn(c2ccccc2)c3ccccc13)C#N
InChi:	InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+
Synonyms:	UK-5099
Definition date:	2022-06-02
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(~{E})-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid

I2U

I2U
Name:	5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide
Formula:	C14 H9 Cl N2 O3 S
SMILES:	NC(=O)n1c(O)c(C(=O)c2sccc2)c3cc(Cl)ccc13
InChi:	InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
Synonyms:	tenidap
Definition date:	2022-06-02
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide

IRV

IRV
Name:	(2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid
Formula:	C17 H21 N3 O3
SMILES:	OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCn2ccnc2
InChi:	InChI=1S/C17H21N3O3/c21-16(8-4-5-10-20-11-9-18-13-20)19-15(17(22)23)12-14-6-2-1-3-7-14/h1-3,6-7,9,11,13,15H,4-5,8,10,12H2,(H,19,21)(H,22,23)/t15-/m0/s1
Definition date:	2022-07-12
Last modified:	2023-05-19
Release date:	2023-05-24
Identifier:	(2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid

TWI

TWI
Name:	(2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one
Formula:	C21 H18 Cl F3 N4 O2
SMILES:	CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(F)c5Cl)ccc14
InChi:	InChI=1S/C21H18ClF3N4O2/c1-29-14-5-4-11(27-13-6-7-26-19(23)15(13)22)8-12(14)16-17(20(29)30)31-9-21(24,25)18(28-16)10-2-3-10/h4-8,10,18,28H,2-3,9H2,1H3,(H,26,27)/t18-/m0/s1
Definition date:	2023-01-13
Last modified:	2023-05-15
Release date:	2023-04-26
Identifier:	(2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one

7PX

7PX
Name:	(2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide
Formula:	C29 H33 F N4 O3
SMILES:	CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#Cc3ccccc3)NC(=O)[CH]4C[CH](F)CN4
InChi:	InChI=1S/C29H33FN4O3/c1-19(2)29(37)34-18-24(33-27(35)25-14-23(30)17-31-25)15-26(34)28(36)32-16-22-12-10-21(11-13-22)9-8-20-6-4-3-5-7-20/h3-7,10-13,19,23-26,31H,14-18H2,1-2H3,(H,32,36)(H,33,35)/t23-,24+,25-,26+/m0/s1
Definition date:	2021-08-17
Last modified:	2023-05-15
Release date:	2022-09-07
Identifier:	(2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide

7QF

7QF
Name:	2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile
Formula:	C17 H17 N3 O
SMILES:	Nc1ccc(cc1C#N)c2cccc(c2)[CH]3CNCCO3
InChi:	InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-20-6-7-21-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1
Definition date:	2021-08-19
Last modified:	2023-05-15
Release date:	2022-09-21
Identifier:	2-azanyl-5-[3-[(2~{R})-morpholin-2-yl]phenyl]benzenecarbonitrile

7QI

7QI
Name:	2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile
Formula:	C17 H17 N3 O
SMILES:	Nc1ccc(cc1C#N)c2cccc(c2)[CH]3COCCN3
InChi:	InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-21-7-6-20-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1
Definition date:	2021-08-19
Last modified:	2023-05-15
Release date:	2022-09-21
Identifier:	2-azanyl-5-[3-[(3~{R})-morpholin-3-yl]phenyl]benzenecarbonitrile

7QL

7QL
Name:	5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile
Formula:	C19 H21 N3 O
SMILES:	NCC1(CCOCC1)c2cccc(c2)c3ccc(N)c(c3)C#N
InChi:	InChI=1S/C19H21N3O/c20-12-16-10-15(4-5-18(16)22)14-2-1-3-17(11-14)19(13-21)6-8-23-9-7-19/h1-5,10-11H,6-9,13,21-22H2
Definition date:	2021-08-19
Last modified:	2023-05-15
Release date:	2022-09-21
Identifier:	5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile

7QR

7QR
Name:	6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile
Formula:	C13 H14 Cl N3
SMILES:	Nc1ccc(C=C2CCCNC2)c(Cl)c1C#N
InChi:	InChI=1S/C13H14ClN3/c14-13-10(3-4-12(16)11(13)7-15)6-9-2-1-5-17-8-9/h3-4,6,17H,1-2,5,8,16H2/b9-6-
Definition date:	2021-08-19
Last modified:	2023-05-15
Release date:	2022-09-21
Identifier:	6-azanyl-2-chloranyl-3-[(~{Z})-piperidin-3-ylidenemethyl]benzenecarbonitrile

N5U

N5U
Name:	1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one
Formula:	C12 H19 N3 O
SMILES:	CCC(=O)N1CCCC[CH]1c2cncn2C
InChi:	InChI=1S/C12H19N3O/c1-3-12(16)15-7-5-4-6-10(15)11-8-13-9-14(11)2/h8-10H,3-7H2,1-2H3/t10-/m1/s1
Definition date:	2022-08-12
Last modified:	2023-05-15
Release date:	2022-09-28
Identifier:	1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one

N6U

N6U
Name:	~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide
Formula:	C9 H11 N3 O2 S
SMILES:	CC[S](=O)(=O)Nc1ccnc2[nH]ccc12
InChi:	InChI=1S/C9H11N3O2S/c1-2-15(13,14)12-8-4-6-11-9-7(8)3-5-10-9/h3-6H,2H2,1H3,(H2,10,11,12)
Definition date:	2022-08-12
Last modified:	2023-05-15
Release date:	2022-09-28
Identifier:	~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide

OIJ

OIJ
Name:	5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
Formula:	C25 H22 F N5 O2
SMILES:	OC1CCN(CC1)c2nccc3n2nc(c4ccc(F)cc4)c3c5ccc6NC(=O)Cc6c5
InChi:	InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)24-23(16-3-6-20-17(13-16)14-22(33)28-20)21-7-10-27-25(31(21)29-24)30-11-8-19(32)9-12-30/h1-7,10,13,19,32H,8-9,11-12,14H2,(H,28,33)
Definition date:	2022-09-08
Last modified:	2023-05-15
Release date:	2023-04-19
Identifier:	5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one

OK6

OK6
Name:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one
Formula:	C27 H29 N9 O13 P2
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccccc7)c8c(N)ncnc68
InChi:	InChI=1S/C27H29N9O13P2/c28-21-15-12(11-4-2-1-3-5-11)6-35(22(15)31-9-30-21)25-18(38)19-14(47-25)8-45-51(42,43)49-20-17(37)13(7-44-50(40,41)48-19)46-26(20)36-10-32-16-23(36)33-27(29)34-24(16)39/h1-6,9-10,13-14,17-20,25-26,37-38H,7-8H2,(H,40,41)(H,42,43)(H2,28,30,31)(H3,29,33,34,39)/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1
Synonyms:	2',3'-cyclic-GMP-7-deazaphenyl-AMP
Definition date:	2022-09-13
Last modified:	2023-05-15
Release date:	2022-10-12
Identifier:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one

OVL

OVL
Name:	(1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione
Formula:	C29 H36 N14 O8
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)NCCCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O
InChi:	InChI=1S/C29H36N14O8/c30-23-17-25(37-10-35-23)42(12-39-17)27-21(47)20(46)14(51-27)8-41-6-1-3-15-40-18-24(31)36-11-38-26(18)43(15)28-22(48)19(45)13(50-28)7-34-29(49)33-5-2-4-32-16(44)9-41/h10-14,19-22,27-28,45-48H,2,4-9H2,(H,32,44)(H2,30,35,37)(H2,31,36,38)(H2,33,34,49)/t13-,14-,19-,20-,21-,22-,27-,28-/m1/s1
Definition date:	2022-09-21
Last modified:	2023-05-15
Release date:	2023-01-11
Identifier:	(1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione

QBO

QBO
Name:	(4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid
Formula:	C24 H38 N4 O3
SMILES:	C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3Cc5nnnn5[C]12C
InChi:	InChI=1S/C24H38N4O3/c1-14(4-9-22(30)31)18-7-8-19-17-6-5-15-12-16(29)10-11-23(15,2)20(17)13-21-25-26-27-28(21)24(18,19)3/h14-20,29H,4-13H2,1-3H3,(H,30,31)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1
Definition date:	2022-10-24
Last modified:	2023-05-15
Release date:	2023-03-08
Identifier:	(4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid

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