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WPO

WPO
Name:	5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine
Formula:	C13 H18 N5 O7 P
SMILES:	O=P(O)(OCC=C)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H18N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h2,5-7,9-10,13,19-20H,1,3-4H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Definition date:	2022-10-10
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	5'-O-{(S)-hydroxy[(prop-2-en-1-yl)oxy]phosphoryl}adenosine

XQY

XQY
Name:	[3-(dibutylamino)propyl]phosphonic acid
Formula:	C11 H26 N O3 P
SMILES:	C(CCP(O)(O)=O)N(CCCC)CCCC
InChi:	InChI=1S/C11H26NO3P/c1-3-5-8-12(9-6-4-2)10-7-11-16(13,14)15/h3-11H2,1-2H3,(H2,13,14,15)
Definition date:	2021-01-06
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	[3-(dibutylamino)propyl]phosphonic acid

WJX

WJX
Name:	(6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
Formula:	C26 H34 F3 N7 O4 S
SMILES:	O=S(=O)(NC(=O)c1ccc(nc1N1CC(C)CC1(C)C)n1ccc(OCC(C)(C)C(F)(F)F)n1)c1cn(C)nc1C
InChi:	InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(13-16)22-18(23(37)33-41(38,39)19-14-34(7)31-17(19)2)8-9-20(30-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,14,16H,12-13,15H2,1-7H3,(H,33,37)/t16-/m0/s1
Synonyms:	Elexacaftor
Definition date:	2022-09-16
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C6I

C6I
Name:	6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one
Formula:	C13 H16 F N3 O
SMILES:	Nc1cc2CN(C3CCCCC3)C(=O)c2c(F)n1
InChi:	InChI=1S/C13H16FN3O/c14-12-11-8(6-10(15)16-12)7-17(13(11)18)9-4-2-1-3-5-9/h6,9H,1-5,7H2,(H2,15,16)
Definition date:	2021-12-14
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one

TWU

TWU
Name:	(2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one
Formula:	C24 H29 Cl N6 O2
SMILES:	Clc1c(Nc2cnc(nc2)C2CC2)cccc1C1(C)CC(=O)N(C2CC(C)OCC2)C(=N)N1
InChi:	InChI=1S/C24H29ClN6O2/c1-14-10-17(8-9-33-14)31-20(32)11-24(2,30-23(31)26)18-4-3-5-19(21(18)25)29-16-12-27-22(28-13-16)15-6-7-15/h3-5,12-15,17,29H,6-11H2,1-2H3,(H2,26,30)/t14-,17-,24-/m0/s1
Definition date:	2022-07-29
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one

9UR

9UR
Name:	(2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
Formula:	C20 H24 N10 O13 P2
SMILES:	Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)n1cnc2c1NC(N)=NC2=O
InChi:	InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12+,13-,18-,19-/m1/s1
Definition date:	2021-10-27
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione

98F

98F
Name:	9-[(1R,6R,8R,13E,15R,17R,18R)-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine
Formula:	C21 H22 F2 N10 O9 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5C=C[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C21H22F2N10O9P2/c22-10-14-8(39-20(10)32-6-30-12-16(24)26-4-28-18(12)32)1-2-43(34,35)41-15-9(3-38-44(36,37)42-14)40-21(11(15)23)33-7-31-13-17(25)27-5-29-19(13)33/h1-2,4-11,14-15,20-21H,3H2,(H,34,35)(H,36,37)(H2,24,26,28)(H2,25,27,29)/b2-1+/t8-,9-,10-,11-,14-,15-,20-,21-/m1/s1
Definition date:	2021-11-10
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},13~{E},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,16-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadec-13-en-8-yl]purin-6-amine

9I4

9I4
Name:	(2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid
Formula:	C46 H41 N3 O7
SMILES:	O=C(O)Cc1c2cc(C)ccc2oc1C#Cc1cccc(c1)C(=O)NCCN1CCN(CC1)Cc1cccc(c1)C#Cc1oc2ccc(C)cc2c1CC(=O)O
InChi:	InChI=1S/C46H41N3O7/c1-30-9-13-40-36(23-30)38(27-44(50)51)42(55-40)15-11-32-5-3-7-34(25-32)29-49-21-19-48(20-22-49)18-17-47-46(54)35-8-4-6-33(26-35)12-16-43-39(28-45(52)53)37-24-31(2)10-14-41(37)56-43/h3-10,13-14,23-26H,17-22,27-29H2,1-2H3,(H,47,54)(H,50,51)(H,52,53)
Definition date:	2021-10-13
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(2-{[3-({4-[2-(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzamido)ethyl]piperazin-1-yl}methyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid

KXY

KXY
Name:	(2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide
Formula:	C37 H37 F2 N7 O2 S
SMILES:	Cc1c(cc(C(F)F)c2cn(nc12)[CH](C(=O)Nc3sccn3)c4ncn5c4CCC56CC6)C#Cc7ccc(CN8CCC(CO)CC8)cc7
InChi:	InChI=1S/C37H37F2N7O2S/c1-23-27(7-6-24-2-4-25(5-3-24)19-44-15-9-26(21-47)10-16-44)18-28(34(38)39)29-20-46(43-31(23)29)33(35(48)42-36-40-14-17-49-36)32-30-8-11-37(12-13-37)45(30)22-41-32/h2-5,14,17-18,20,22,26,33-34,47H,8-13,15-16,19,21H2,1H3,(H,40,42,48)/t33-/m1/s1
Definition date:	2022-06-07
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(2~{R})-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-~{N}-(1,3-thiazol-2-yl)ethanamide

KY9

KY9
Name:	(2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)ethanamide
Formula:	C35 H33 F3 N6 O3 S
SMILES:	OCC1CCN(CC1)Cc2ccc(cc2)C#Cc3cc4C(=O)N(Cc4c(c3)C(F)(F)F)[CH](C(=O)Nc5sccn5)c6ncn7CCCc67
InChi:	InChI=1S/C35H33F3N6O3S/c36-35(37,38)28-17-25(8-5-22-3-6-23(7-4-22)18-42-13-9-24(20-45)10-14-42)16-26-27(28)19-44(33(26)47)31(32(46)41-34-39-11-15-48-34)30-29-2-1-12-43(29)21-40-30/h3-4,6-7,11,15-17,21,24,31,45H,1-2,9-10,12-14,18-20H2,(H,39,41,46)/t31-/m1/s1
Definition date:	2022-06-07
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(2~{R})-2-(6,7-dihydro-5~{H}-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxidanylidene-7-(trifluoromethyl)-1~{H}-isoindol-2-yl]-~{N}-(1,3-thiazol-2-yl)ethanamide

KYO

KYO
Name:	(9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate
Formula:	C51 H72 N4 O11
SMILES:	CC(C)CN1CCC2(CC1)Nc1c(N2)c2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)C(C)CCCC(C)C(O)C(C)C(O)C(C)C(OC(=O)c1ccccc1)C(C)C(OC)CCO4
InChi:	InChI=1S/C51H72N4O11/c1-26(2)25-55-22-20-51(21-23-55)53-38-35-36-43(58)32(8)46-37(35)47(60)50(9,66-46)64-24-19-34(63-10)29(5)45(65-49(62)33-17-12-11-13-18-33)31(7)42(57)30(6)41(56)27(3)15-14-16-28(4)48(61)52-40(44(36)59)39(38)54-51/h11-13,17-18,26-31,34,41-42,45,53-54,56-59H,14-16,19-25H2,1-10H3,(H,52,61)/t27-,28+,29+,30+,31+,34-,41-,42+,45+,50-/m0/s1
Definition date:	2022-02-23
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate

KLF

KLF
Name:	(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide
Formula:	C5 H10 N2 O2
SMILES:	NC(=O)[CH]1C[CH](O)CN1
InChi:	InChI=1S/C5H10N2O2/c6-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4+/m1/s1
Definition date:	2022-09-27
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide

6IQ

6IQ
Name:	1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole
Formula:	C13 H8 Cl2 N2 O2 S
SMILES:	Clc1ccc(Cl)c(c1)[S](=O)(=O)n2cnc3ccccc23
InChi:	InChI=1S/C13H8Cl2N2O2S/c14-9-5-6-10(15)13(7-9)20(18,19)17-8-16-11-3-1-2-4-12(11)17/h1-8H
Definition date:	2022-02-15
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole

ORZ

ORZ
Name:	precondylocarpine acetate
Formula:	C23 H27 N2 O4
SMILES:	COC(=O)[C]1(COC(C)=O)[CH]2CC[N+](=CC2=CC)CCc3c1[nH]c4ccccc34
InChi:	InChI=1S/C23H27N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,13,19,24H,9-12,14H2,1-3H3/q+1/b16-4-/t19-,23-/m0/s1
Synonyms:	methyl (1~{S},2~{S},16~{E})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5(10),6,8,14-pentaene-2-carboxylate
Definition date:	2022-09-19
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	methyl (1~{S},2~{S},16~{E})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5(10),6,8,14-pentaene-2-carboxylate

OSO

OSO
Name:	stemmadenine acetate
Formula:	C23 H29 N2 O4
SMILES:	COC(=O)[C]1(COC(C)=O)[CH]2CC[NH+](CCc3c1[nH]c4ccccc34)CC2=CC
InChi:	InChI=1S/C23H28N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h4-8,19,24H,9-14H2,1-3H3/p+1/b16-4-/t19-,23-/m0/s1
Synonyms:	methyl (1~{S},2~{S},14~{S})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5,7,9-tetraene-2-carboxylate
Definition date:	2022-09-19
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	methyl (1~{S},2~{S},14~{S})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5,7,9-tetraene-2-carboxylate

7PL

7PL
Name:	N-[3-[[6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
Formula:	C21 H18 F3 N5 O
SMILES:	FC(F)(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1
InChi:	InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)
Definition date:	2021-10-12
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	~{N}-[3-[[6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide

7PU

7PU
Name:	N-[3-[[6-[[3-[bis(fluoranyl)methyl]phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
Formula:	C21 H19 F2 N5 O
SMILES:	FC(F)c1cccc(Nc2cc(Nc3cccc(NC(=O)C4CC4)c3)ncn2)c1
InChi:	InChI=1S/C21H19F2N5O/c22-20(23)14-3-1-4-15(9-14)26-18-11-19(25-12-24-18)27-16-5-2-6-17(10-16)28-21(29)13-7-8-13/h1-6,9-13,20H,7-8H2,(H,28,29)(H2,24,25,26,27)
Definition date:	2021-10-12
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	~{N}-[3-[[6-[[3-[bis(fluoranyl)methyl]phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide

7TU

7TU
Name:	(4S,5S)-1-[[3-[[(4S,5S)-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole
Formula:	C38 H34 N4
SMILES:	C(N1C=N[CH]([CH]1c2ccccc2)c3ccccc3)c4cccc(CN5C=N[CH]([CH]5c6ccccc6)c7ccccc7)c4
InChi:	InChI=1S/C38H34N4/c1-5-16-31(17-6-1)35-37(33-20-9-3-10-21-33)41(27-39-35)25-29-14-13-15-30(24-29)26-42-28-40-36(32-18-7-2-8-19-32)38(42)34-22-11-4-12-23-34/h1-24,27-28,35-38H,25-26H2/t35-,36-,37-,38-/m0/s1
Definition date:	2021-10-26
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(4~{S},5~{S})-1-[[3-[[(4~{S},5~{S})-4,5-diphenyl-4,5-dihydroimidazol-1-yl]methyl]phenyl]methyl]-4,5-diphenyl-4,5-dihydroimidazole

JIP

JIP
Name:	N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine
Formula:	C18 H20 N8
SMILES:	Cn1nc(nc1N(C)Cc1nc2c(C)ncc(C)n2n1)c1ccccc1
InChi:	InChI=1S/C18H20N8/c1-12-10-19-13(2)17-20-15(22-26(12)17)11-24(3)18-21-16(23-25(18)4)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3
Definition date:	2022-02-01
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine

8IK

8IK
Name:	(2S)-2-azanyl-3-(6-methyl-1H-indol-3-yl)propanoic acid
Formula:	C12 H14 N2 O2
SMILES:	Cc1ccc2c(C[CH](N)C(O)=O)c[nH]c2c1
InChi:	InChI=1S/C12H14N2O2/c1-7-2-3-9-8(5-10(13)12(15)16)6-14-11(9)4-7/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
Definition date:	2021-12-15
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(2~{S})-2-azanyl-3-(6-methyl-1~{H}-indol-3-yl)propanoic acid

DD0

DD0
Name:	2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one
Formula:	C14 H18 F2 N4 O3
SMILES:	COc1nc(N)nc2CN([CH]3[CH](O)CCCCC3(F)F)C(=O)c12
InChi:	InChI=1S/C14H18F2N4O3/c1-23-11-9-7(18-13(17)19-11)6-20(12(9)22)10-8(21)4-2-3-5-14(10,15)16/h8,10,21H,2-6H2,1H3,(H2,17,18,19)/t8-,10-/m0/s1
Definition date:	2021-12-14
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one

RT6

RT6
Name:	(1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside
Formula:	C19 H33 N O9
SMILES:	OCC1=CC(NC2CCCCC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChi:	InChI=1S/C19H33NO9/c21-7-9-6-11(20-10-4-2-1-3-5-10)13(23)16(26)18(9)29-19-17(27)15(25)14(24)12(8-22)28-19/h6,10-27H,1-5,7-8H2/t11-,12+,13-,14+,15-,16+,17+,18+,19+/m0/s1
Definition date:	2022-05-02
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside

ZNS

ZNS
Name:	4-oxo-4-(phosphonooxy)butanoic acid
Formula:	C4 H7 O7 P
SMILES:	O=P(O)(O)OC(=O)CCC(=O)O
InChi:	InChI=1S/C4H7O7P/c5-3(6)1-2-4(7)11-12(8,9)10/h1-2H2,(H,5,6)(H2,8,9,10)
Definition date:	2021-05-12
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	4-oxo-4-(phosphonooxy)butanoic acid

XP2

XP2
Name:	(2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate
Formula:	C51 H93 O24 P
SMILES:	CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(OC2OC(COC(=O)CCCCCCCCCC)C(O)C(O)C2O)C(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChi:	InChI=1S/C51H93O24P/c1-4-7-10-13-15-17-20-22-25-35(53)67-29-32(70-37(55)27-24-19-12-9-6-3)30-69-76(65,66)75-49-47(73-50-45(63)40(58)38(56)33(28-52)71-50)43(61)42(60)44(62)48(49)74-51-46(64)41(59)39(57)34(72-51)31-68-36(54)26-23-21-18-16-14-11-8-5-2/h32-34,38-52,56-64H,4-31H2,1-3H3,(H,65,66)/t32-,33-,34-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51+/m1/s1
Definition date:	2022-08-29
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	(2R)-3-{[(R)-hydroxy({(1S,2R,3R,4R,5S,6S)-3,4,5-trihydroxy-2-(alpha-D-mannopyranosyloxy)-6-[(6-O-undecanoyl-beta-D-mannopyranosyl)oxy]cyclohexyl}oxy)phosphoryl]oxy}-2-(octanoyloxy)propyl undecanoate

YV7

YV7
Name:	D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide
Formula:	C29 H37 F N4 O5
SMILES:	Fc1ccc(cc1)CC(NC(=O)C(N)Cc1ccccc1)C(=O)NC(CC1CCNC1=O)CCC(=O)OCC
InChi:	InChI=1S/C29H37FN4O5/c1-2-39-26(35)13-12-23(18-21-14-15-32-27(21)36)33-29(38)25(17-20-8-10-22(30)11-9-20)34-28(37)24(31)16-19-6-4-3-5-7-19/h3-11,21,23-25H,2,12-18,31H2,1H3,(H,32,36)(H,33,38)(H,34,37)/t21-,23+,24+,25-/m0/s1
Definition date:	2021-04-01
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide

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