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X2R

X2R
Name:	(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid
Formula:	C13 H25 N3 O7 S2
SMILES:	CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)[S](O)(=O)=O
InChi:	InChI=1S/C13H25N3O7S2/c1-7(2)12(25(21,22)23)16-11(18)9(6-24)15-10(17)5-3-4-8(14)13(19)20/h7-9,12,24H,3-6,14H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22,23)/t8-,9-,12+/m0/s1
Definition date:	2023-05-31
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid

W4E

W4E
Name:	(1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
Formula:	C30 H29 N O3
SMILES:	COc1cc2CCN(C)[CH](Cc3ccc(Oc4ccccc4)cc3)c2cc1Oc5ccccc5
InChi:	InChI=1S/C30H29NO3/c1-31-18-17-23-20-29(32-2)30(34-25-11-7-4-8-12-25)21-27(23)28(31)19-22-13-15-26(16-14-22)33-24-9-5-3-6-10-24/h3-16,20-21,28H,17-19H2,1-2H3/t28-/m0/s1
Synonyms:	SG-094
Definition date:	2023-04-26
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1~{S})-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1~{H}-isoquinoline

VPZ

VPZ
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C17 H15 Cl2 F N4 O4 S2
SMILES:	OC[CH]1O[CH](Sc2cc(Cl)c(F)c(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4sccn4
InChi:	InChI=1S/C17H15Cl2FN4O4S2/c18-8-3-7(4-9(19)12(8)20)30-17-15(27)13(14(26)11(6-25)28-17)24-5-10(22-23-24)16-21-1-2-29-16/h1-5,11,13-15,17,25-27H,6H2/t11-,13+,14+,15-,17-/m1/s1
Definition date:	2023-03-24
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol

X5L

X5L
Name:	(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid
Formula:	C13 H25 N3 O7 S2
SMILES:	CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)[S](O)(=O)=O
InChi:	InChI=1S/C13H25N3O7S2/c1-7(2)12(25(21,22)23)16-11(18)9(6-24)15-10(17)5-3-4-8(14)13(19)20/h7-9,12,24H,3-6,14H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22,23)/t8-,9-,12-/m0/s1
Definition date:	2023-05-31
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid

W9N

W9N
Name:	1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one
Formula:	C31 H33 N7 O2
SMILES:	Cn1cnc2cc(ccc12)Oc1ccc(cc1C)c1nn(c2ncnc(C)c21)C1CC2CCC(C1)N2C(=O)CC
InChi:	InChI=1S/C31H33N7O2/c1-5-28(39)37-21-7-8-22(37)14-23(13-21)38-31-29(19(3)32-16-33-31)30(35-38)20-6-11-27(18(2)12-20)40-24-9-10-26-25(15-24)34-17-36(26)4/h6,9-12,15-17,21-23H,5,7-8,13-14H2,1-4H3/t21-,22+,23+
Definition date:	2023-09-27
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one

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

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

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

FQ6

FQ6
Name:	4H-1,3-benzodioxine-6-carbaldehyde
Formula:	C9 H8 O3
SMILES:	O=Cc1ccc2OCOCc2c1
InChi:	InChI=1S/C9H8O3/c10-4-7-1-2-9-8(3-7)5-11-6-12-9/h1-4H,5-6H2
Synonyms:	4H-benzo[d][1,3]dioxine-6-carbaldehyde
Definition date:	2020-06-12
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	4~{H}-1,3-benzodioxine-6-carbaldehyde

ERV

ERV
Name:	6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C8 H8 N4 O
SMILES:	Cc1cnc2n(c1)ncc2C(N)=O
InChi:	InChI=1S/C8H8N4O/c1-5-2-10-8-6(7(9)13)3-11-12(8)4-5/h2-4H,1H3,(H2,9,13)
Definition date:	2023-06-15
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	6-methylpyrazolo[1,5-a]pyrimidine-3-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

A1ALA

A1ALA
Name:	1H-indol-6-amine
Formula:	C8 H8 N2
SMILES:	Nc1ccc2cc[NH]c2c1
InChi:	InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,9H2
Definition date:	2024-04-08
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	1H-indol-6-amine

A1ALB

A1ALB
Name:	3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
Formula:	C12 H9 N3 O
SMILES:	Nc1cccc(c1)c1nc2ncccc2o1
InChi:	InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2
Definition date:	2024-04-08
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline

A1AOH

A1AOH
Name:	(2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name)
Formula:	C42 H55 N7 O6 S
SMILES:	CC(=O)N(C)C(C(C)C)C(=O)NC1Cc2nc(cs2)c2ccc3n(CC)c(c4cccnc4C(C)OC)c(CC(C)(C)COC(=O)C4CCCN(N4)C1=O)c3c2
InChi:	InChI=1S/C42H55N7O6S/c1-10-48-34-16-15-27-19-29(34)30(38(48)28-13-11-17-43-36(28)25(4)54-9)21-42(6,7)23-55-41(53)31-14-12-18-49(46-31)40(52)32(20-35-44-33(27)22-56-35)45-39(51)37(24(2)3)47(8)26(5)50/h11,13,15-17,19,22,24-25,31-32,37,46H,10,12,14,18,20-21,23H2,1-9H3,(H,45,51)/t25-,31+,32-,37?/m0/s1
Definition date:	2024-04-19
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name)

A1D46

A1D46
Name:	3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one
Formula:	C21 H20 N4 O2
SMILES:	O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cnc5c4
InChi:	InChI=1S/C21H20N4O2/c26-21-15(10-13-4-5-16-18(11-13)24-12-23-16)20-17(25-21)2-1-3-19(20)27-14-6-8-22-9-7-14/h1-5,10-12,14,22H,6-9H2,(H,23,24)(H,25,26)
Synonyms:	(Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
Definition date:	2023-12-21
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one

A1D47

A1D47
Name:	(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one
Formula:	C21 H19 N3 O3
SMILES:	O=C1Nc2cccc(OC3CCOCC3)c2C1=Cc4ccc5[nH]cnc5c4
InChi:	InChI=1S/C21H19N3O3/c25-21-15(10-13-4-5-16-18(11-13)23-12-22-16)20-17(24-21)2-1-3-19(20)27-14-6-8-26-9-7-14/h1-5,10-12,14H,6-9H2,(H,22,23)(H,24,25)/b15-10-
Synonyms:	(Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one
Definition date:	2023-12-21
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one

A1D48

A1D48
Name:	(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one
Formula:	C16 H11 N3 O2
SMILES:	Oc1cccc2NC(=O)C(=Cc3ccc4[nH]cnc4c3)c12
InChi:	InChI=1S/C16H11N3O2/c20-14-3-1-2-12-15(14)10(16(21)19-12)6-9-4-5-11-13(7-9)18-8-17-11/h1-8,20H,(H,17,18)(H,19,21)/b10-6-
Synonyms:	(Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
Definition date:	2023-12-21
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one

A1D49

A1D49
Name:	(5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
Formula:	C19 H20 N4 O2
SMILES:	CCCOc1ccc(cc1)[CH]2CNC(=O)N2c3ccc4nc[nH]c4c3
InChi:	InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1
Synonyms:	PQ912
Definition date:	2023-12-22
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

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

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

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