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A1D5P

A1D5P
Name:	(2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid
Formula:	C9 H11 N O4
SMILES:	N[CH]([CH](O)c1ccc(O)cc1)C(O)=O
InChi:	InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m1/s1
Synonyms:	(betaS)-beta-hydroxy-D-tyrosine
Definition date:	2024-01-26
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2~{R},3~{S})-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid

A1D6Q

A1D6Q
Name:	8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula:	C30 H18 O10
SMILES:	Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)c(c3O2)c4cc(ccc4O)C5=CC(=O)c6c(O)cc(O)cc6O5
InChi:	InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
Synonyms:	Amentoflavone
Definition date:	2024-03-08
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one

A1H2A

A1H2A
Name:	(2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid
Formula:	C16 H25 N4 O10 P2 S
SMILES:	CC[C](O)(C(O)=O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N
InChi:	InChI=1S/C16H24N4O10P2S/c1-4-16(23,15(21)22)14-20(8-11-7-18-10(3)19-13(11)17)9(2)12(33-14)5-6-29-32(27,28)30-31(24,25)26/h7,23H,4-6,8H2,1-3H3,(H5-,17,18,19,21,22,24,25,26,27,28)/p+1/t16-/m1/s1
Synonyms:	Ketobutyryl-thiamine diphosphate
Definition date:	2024-01-16
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-2-oxidanyl-butanoic acid

A1H68

A1H68
Name:	(1-methylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
Formula:	C28 H39 N3 O6
SMILES:	COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(C)c4
InChi:	InChI=1S/C28H39N3O6/c1-30-17-19(16-29-30)18-37-28(33)22-12-8-9-13-31(22)27(32)25(20-10-6-5-7-11-20)21-14-23(34-2)26(36-4)24(15-21)35-3/h14-17,20,22,25H,5-13,18H2,1-4H3/t22-,25-/m0/s1
Definition date:	2024-03-28
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1-methylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate

A1H7A

A1H7A
Name:	(2-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
Formula:	C28 H38 N2 O6 S
SMILES:	COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4sc(C)nc4
InChi:	InChI=1S/C28H38N2O6S/c1-18-29-16-21(37-18)17-36-28(32)22-12-8-9-13-30(22)27(31)25(19-10-6-5-7-11-19)20-14-23(33-2)26(35-4)24(15-20)34-3/h14-16,19,22,25H,5-13,17H2,1-4H3/t22-,25-/m0/s1
Definition date:	2024-03-28
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2-methyl-1,3-thiazol-5-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate

A1H7B

A1H7B
Name:	(4-methyl-1,3-thiazol-5-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
Formula:	C28 H38 N2 O6 S
SMILES:	COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4scnc4C
InChi:	InChI=1S/C28H38N2O6S/c1-18-24(37-17-29-18)16-36-28(32)21-12-8-9-13-30(21)27(31)25(19-10-6-5-7-11-19)20-14-22(33-2)26(35-4)23(15-20)34-3/h14-15,17,19,21,25H,5-13,16H2,1-4H3/t21-,25-/m0/s1
Definition date:	2024-03-28
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(4-methyl-1,3-thiazol-5-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate

A1H7E

A1H7E
Name:	[1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
Formula:	C29 H41 N3 O7
SMILES:	COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(CCO)c4
InChi:	InChI=1S/C29H41N3O7/c1-36-24-15-22(16-25(37-2)27(24)38-3)26(21-9-5-4-6-10-21)28(34)32-12-8-7-11-23(32)29(35)39-19-20-17-30-31(18-20)13-14-33/h15-18,21,23,26,33H,4-14,19H2,1-3H3/t23-,26-/m0/s1
Definition date:	2024-03-28
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	[1-(2-hydroxyethyl)pyrazol-4-yl]methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate

A1H7F

A1H7F
Name:	(1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
Formula:	C29 H41 N3 O6
SMILES:	CCn1cc(COC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)cn1
InChi:	InChI=1S/C29H41N3O6/c1-5-31-18-20(17-30-31)19-38-29(34)23-13-9-10-14-32(23)28(33)26(21-11-7-6-8-12-21)22-15-24(35-2)27(37-4)25(16-22)36-3/h15-18,21,23,26H,5-14,19H2,1-4H3/t23-,26-/m0/s1
Definition date:	2024-03-28
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1-ethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate

A1H7G

A1H7G
Name:	(1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
Formula:	C30 H43 N3 O6
SMILES:	COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(c4)C(C)C
InChi:	InChI=1S/C30H43N3O6/c1-20(2)33-18-21(17-31-33)19-39-30(35)24-13-9-10-14-32(24)29(34)27(22-11-7-6-8-12-22)23-15-25(36-3)28(38-5)26(16-23)37-4/h15-18,20,22,24,27H,6-14,19H2,1-5H3/t24-,27-/m0/s1
Definition date:	2024-03-28
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1-propan-2-ylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate

A1H7U

A1H7U
Name:	(1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate
Formula:	C29 H41 N3 O6
SMILES:	COc1cc(cc(OC)c1OC)[CH](C2CCCCC2)C(=O)N3CCCC[CH]3C(=O)OCc4cnn(C)c4C
InChi:	InChI=1S/C29H41N3O6/c1-19-22(17-30-31(19)2)18-38-29(34)23-13-9-10-14-32(23)28(33)26(20-11-7-6-8-12-20)21-15-24(35-3)27(37-5)25(16-21)36-4/h15-17,20,23,26H,6-14,18H2,1-5H3/t23-,26-/m0/s1
Definition date:	2024-04-05
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1,5-dimethylpyrazol-4-yl)methyl (2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate

A1AHO

A1AHO
Name:	(1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
Formula:	C29 H29 N O6 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC1CC1)c1ccc(OC)cc1
InChi:	InChI=1S/C29H29NO6S/c1-35-24-14-8-21(9-15-24)30(17-18-2-3-18)37(33,34)26-16-25-27(19-4-10-22(31)11-5-19)28(29(26)36-25)20-6-12-23(32)13-7-20/h4-15,18,25-26,29,31-32H,2-3,16-17H2,1H3/t25-,26+,29+/m0/s1
Definition date:	2024-03-08
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

A1AHU

A1AHU
Name:	4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol
Formula:	C27 H25 N O5 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N1CCCc2ccccc21
InChi:	InChI=1S/C27H25NO5S/c29-20-11-7-18(8-12-20)25-23-16-24(27(33-23)26(25)19-9-13-21(30)14-10-19)34(31,32)28-15-3-5-17-4-1-2-6-22(17)28/h1-2,4,6-14,23-24,27,29-30H,3,5,15-16H2/t23-,24+,27+/m0/s1
Definition date:	2024-03-11
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol

A1AHV

A1AHV
Name:	4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol
Formula:	C26 H23 N O5 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N1CCc2ccccc21
InChi:	InChI=1S/C26H23NO5S/c28-19-9-5-17(6-10-19)24-22-15-23(26(32-22)25(24)18-7-11-20(29)12-8-18)33(30,31)27-14-13-16-3-1-2-4-21(16)27/h1-12,22-23,26,28-29H,13-15H2/t22-,23+,26+/m1/s1
Definition date:	2024-03-11
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol

A1AHY

A1AHY
Name:	(1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
Formula:	C31 H33 N O6 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(c1ccc(OC)cc1)C1CCCCC1
InChi:	InChI=1S/C31H33NO6S/c1-37-26-17-11-23(12-18-26)32(22-5-3-2-4-6-22)39(35,36)28-19-27-29(20-7-13-24(33)14-8-20)30(31(28)38-27)21-9-15-25(34)16-10-21/h7-18,22,27-28,31,33-34H,2-6,19H2,1H3/t27-,28+,31+/m1/s1
Definition date:	2024-03-11
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

A1AHZ

A1AHZ
Name:	(1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
Formula:	C31 H33 N O6 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(c1ccc(OC)cc1)C1CCCCC1
InChi:	InChI=1S/C31H33NO6S/c1-37-26-17-11-23(12-18-26)32(22-5-3-2-4-6-22)39(35,36)28-19-27-29(20-7-13-24(33)14-8-20)30(31(28)38-27)21-9-15-25(34)16-10-21/h7-18,22,27-28,31,33-34H,2-6,19H2,1H3/t27-,28+,31+/m0/s1
Definition date:	2024-03-11
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

D0D

D0D
Name:	N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide
Formula:	C22 H20 Cl N5 O2 S
SMILES:	Clc1ncc(cc1NS(C)(=O)=O)c1cc2c(NC(C)c3ccccc3)ncnc2cc1
InChi:	InChI=1S/C22H20ClN5O2S/c1-14(15-6-4-3-5-7-15)27-22-18-10-16(8-9-19(18)25-13-26-22)17-11-20(21(23)24-12-17)28-31(2,29)30/h3-14,28H,1-2H3,(H,25,26,27)/t14-/m1/s1
Definition date:	2023-04-25
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide

I7Q

I7Q
Name:	N-{2-[(4R)-2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
Formula:	C25 H35 N O4
SMILES:	CC(C)C1(CCN(Cc2ccc(OC)cc2)C(=O)c2ccco2)CC(C)(C)OCC1
InChi:	InChI=1S/C25H35NO4/c1-19(2)25(13-16-30-24(3,4)18-25)12-14-26(23(27)22-7-6-15-29-22)17-20-8-10-21(28-5)11-9-20/h6-11,15,19H,12-14,16-18H2,1-5H3/t25-/m1/s1
Definition date:	2023-07-31
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	N-{2-[(4R)-2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

EYT

EYT
Name:	[(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-bromanyl-5'-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propoxy]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methyl dihydrogen phosphate
Formula:	C24 H26 B Br N8 O10 P S
SMILES:	NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCC(=O)Nc7sccn7)ccc(Br)c16
InChi:	InChI=1S/C24H26BBrN8O10PS/c26-11-1-2-12(39-5-3-15(35)33-24-29-4-6-46-24)17-16(11)13(7-27)42-25(17)43-19-14(8-40-45(36,37)38)41-23(20(19)44-25)34-10-32-18-21(28)30-9-31-22(18)34/h1-2,4,6,9-10,13-14,19-20,23H,3,5,7-8,27H2,(H2,28,30,31)(H,29,33,35)(H2,36,37,38)/q-1/t13-,14-,19-,20-,23-,25+/m1/s1
Definition date:	2018-05-04
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	[(1~{R},5~{S},6~{R},8~{R},9'~{S})-9'-(aminomethyl)-8-(6-aminopurin-9-yl)-2'-bromanyl-5'-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propoxy]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methyl dihydrogen phosphate

7RZ

7RZ
Name:	[(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate
Formula:	C29 H35 B Br N7 O9 P
SMILES:	CN(CCCOc1ccc(Br)c2[CH](CN)O[B]3(O[CH]4[CH](CO[P](O)(O)=O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)c12)Cc7ccccc7
InChi:	InChI=1S/C29H35BBrN7O9P/c1-37(13-17-6-3-2-4-7-17)10-5-11-42-19-9-8-18(31)22-20(12-32)45-30(23(19)22)46-25-21(14-43-48(39,40)41)44-29(26(25)47-30)38-16-36-24-27(33)34-15-35-28(24)38/h2-4,6-9,15-16,20-21,25-26,29H,5,10-14,32H2,1H3,(H2,33,34,35)(H2,39,40,41)/t20-,21-,25-,26-,29-/m1/s1
Synonyms:	AMP adduct with 3-[[(3S)-3-(aminomethyl)-4-bromanyl-1,3-dihydro-2,1-benzoxaborol-7-yl]oxy]-N-methyl-N-(phenylmethyl)propan-1-amine
Definition date:	2023-07-12
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	[(1~{R},3'~{S},5~{S},6~{R},8~{R})-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3~{H}-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate

A1LY1

A1LY1
Name:	Tasurgratinib
Formula:	C32 H37 N5 O6
SMILES:	CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(cc4)C5CCN(CCO)CC5)c3)c(OCCOC)cc12
InChi:	InChI=1S/C32H37N5O6/c1-33-32(40)37-14-10-25-19-29(28(21-27(25)37)42-18-17-41-2)43-26-7-11-34-30(20-26)35-31(39)24-5-3-22(4-6-24)23-8-12-36(13-9-23)15-16-38/h3-7,10-11,14,19-21,23,38H,8-9,12-13,15-18H2,1-2H3,(H,33,40)(H,34,35,39)
Synonyms:	E-7090
Definition date:	2024-03-12
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	5-[2-[[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]carbonylamino]pyridin-4-yl]oxy-6-(2-methoxyethoxy)-~{N}-methyl-indole-1-carboxamide

R8L

R8L
Name:	(E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid
Formula:	C15 H17 N O5
SMILES:	CC[CH](OC(N)=O)[CH]1O[CH]1c2ccccc2C=CC(O)=O
InChi:	InChI=1S/C15H17NO5/c1-2-11(20-15(16)19)14-13(21-14)10-6-4-3-5-9(10)7-8-12(17)18/h3-8,11,13-14H,2H2,1H3,(H2,16,19)(H,17,18)/b8-7+/t11-,13-,14+/m1/s1
Definition date:	2023-09-05
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(~{E})-3-[2-[(2~{R},3~{S})-3-[(1~{R})-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid

WRT

WRT
Name:	TbXo4-OH
Formula:	C23 H29 N5 O5 Tb
SMILES:	OCCCN1CCN2CCN(CC1)Cc3cccc4C(=O)O[Tb+3]5(OC(=O)c6cccc(C2)[n+]56)[n+]34
InChi:	InChI=1S/C23H31N5O5.Tb/c29-15-3-8-26-9-11-27(16-18-4-1-6-20(24-18)22(30)31)13-14-28(12-10-26)17-19-5-2-7-21(25-19)23(32)33
Definition date:	2023-05-17
Last modified:	2024-05-31
Release date:	2024-06-05

WC8

WC8
Name:	2-CN-benzoyl coenzyme A
Formula:	C29 H39 N8 O17 P3 S
SMILES:	CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccccc4C#N
InChi:	InChI=1S/C29H39N8O17P3S/c1-29(2,23(40)26(41)33-8-7-19(38)32-9-10-58-28(42)17-6-4-3-5-16(17)11-30)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(31)34-14-35-25(20)37/h3-6,14-15,18,21-23,27,39-40H,7-10,12-13H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t18-,21-,22+,23+,27-/m1/s1
Synonyms:	S-[2-[3-[[(2R)-4-[[[(2R,3R,4R,5R)-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]ethyl] 2-cyanobenzenecarbothioate
Definition date:	2023-05-10
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},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]ethyl] 2-cyanobenzenecarbothioate

ZW4

ZW4
Name:	(S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride
Formula:	C23 H27 Cl2 F N4 O3 S
SMILES:	O=C(N1CC(OCC1)c1ccccc1)c1c(Cl)cc(N=S(F)(=O)N2CC(CN(C)C)C2)cc1Cl
InChi:	InChI=1S/C23H27Cl2FN4O3S/c1-28(2)12-16-13-30(14-16)34(26,32)27-18-10-19(24)22(20(25)11-18)23(31)29-8-9-33-21(15-29)17-6-4-3-5-7-17/h3-7,10-11,16,21H,8-9,12-15H2,1-2H3/t21-,34-/m1/s1
Definition date:	2023-04-07
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	(S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride

XSR

XSR
Name:	1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium
Formula:	C39 H47 F3 N3 O5 Si
SMILES:	O=C(O)c1c(F)c(F)c(C(=O)NCCOCCOCCCCCC)c(F)c1C=1c2ccc(cc2[Si](C)(C)C2=CC(C=CC=12)=[N+]1/CCC1)N1CCC1
InChi:	InChI=1S/C39H46F3N3O5Si/c1-4-5-6-7-19-49-21-22-50-20-14-43-38(46)34-35(40)32(33(39(47)48)36(41)37(34)42)31-27-12-10-25(44-15-8-16-44)23-29(27)51(2,3)30-24-26(11-13-28(30)31)45-17-9-18-45/h10-13,23-24H,4-9,14-22H2,1-3H3,(H-,43,46,47,48)/p+1
Definition date:	2023-11-09
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium

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