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A1COK

A1COK
Name:	6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine
Formula:	C20 H24 F3 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CCCC(F)C2)cc(F)c1F
InChi:	InChI=1S/C20H24F3N3O/c1-13-7-16(25-19(24)8-13)12-27-18-10-14(9-17(22)20(18)23)4-6-26-5-2-3-15(21)11-26/h7-10,15H,2-6,11-12H2,1H3,(H2,24,25)/t15-/m0/s1
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine

A1I71

A1I71
Name:	~{N}-(3-nitropyridin-2-yl)isoquinolin-3-amine
Formula:	C18 H15 N6 O2
SMILES:	Cn1cc(cn1)c2cccc3cnc(Nc4ncccc4[N+](O)=O)cc23
InChi:	InChI=1S/C18H15N6O2/c1-23-11-13(10-21-23)14-5-2-4-12-9-20-17(8-15(12)14)22-18-16(24(25)26)6-3-7-19-18/h2-11H,1H3,(H,25,26)(H,19,20,22)/q+1
Definition date:	2025-03-25
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	[2-[[5-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]pyridin-3-yl]-oxidanyl-oxidanylidene-azanium

A1IMP

A1IMP
Name:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(1,1,3,3-tetramethyl-2-oxidanyl-isoindol-5-yl)oxy-purine-2,6-dione
Formula:	C28 H32 Cl N5 O5
SMILES:	CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc5c(c4)C(C)(C)N(O)C5(C)C)nc12
InChi:	InChI=1S/C28H32ClN5O5/c1-27(2)20-12-11-19(15-21(20)28(3,4)34(27)38)39-25-30-23-22(33(25)16-17-7-9-18(29)10-8-17)24(36)32(13-6-14-35)26(37)31(23)5/h7-12,15,35,38H,6,13-14,16H2,1-5H3
Definition date:	2024-08-27
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(1,1,3,3-tetramethyl-2-oxidanyl-isoindol-5-yl)oxy-purine-2,6-dione

A1JMH

A1JMH
Name:	28-homobrassinolide
Formula:	C29 H50 O6
SMILES:	CC[CH](C(C)C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3COC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,25+,26+,28+,29+/m0/s1
Definition date:	2025-08-06
Last modified:	2025-09-05
Release date:	2025-09-10

A1EOF

A1EOF
Name:	[3-(phenylmethyl)imidazol-4-yl]methanimine
Formula:	C11 H11 N3
SMILES:	N=Cc1cncn1Cc2ccccc2
InChi:	InChI=1S/C11H11N3/c12-6-11-7-13-9-14(11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2/b12-6+
Definition date:	2025-04-01
Last modified:	2025-09-03
Release date:	2025-09-03
Identifier:	[3-(phenylmethyl)imidazol-4-yl]methanimine

U73

U73
Name:	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE
Formula:	C13 H15 N3 O S
SMILES:	O=C(N=C1/SC(=CN1)C(C)C)Cc2cccnc2
InChi:	InChI=1S/C13H15N3OS/c1-9(2)11-8-15-13(18-11)16-12(17)6-10-4-3-5-14-7-10/h3-5,7-9H,6H2,1-2H3,(H,15,16,17)
Definition date:	2005-06-06
Last modified:	2025-09-01
Identifier:	N-[(2Z)-5-(1-methylethyl)-1,3-thiazol-2(3H)-ylidene]-2-pyridin-3-ylacetamide

A1BLZ

A1BLZ
Name:	2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide
Formula:	C19 H18 F6 N2 O3 S2
SMILES:	O=S(=O)(c1ccc(cn1)C(F)(F)F)C(C)(C)C(=O)NCCSc1ccccc1C(F)(F)F
InChi:	InChI=1S/C19H18F6N2O3S2/c1-17(2,32(29,30)15-8-7-12(11-27-15)18(20,21)22)16(28)26-9-10-31-14-6-4-3-5-13(14)19(23,24)25/h3-8,11H,9-10H2,1-2H3,(H,26,28)
Definition date:	2024-12-17
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide

A1A3B

A1A3B
Name:	{[6-fluoro-1-methyl-2-oxo-7-(pyrrolidin-1-yl)-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid
Formula:	C15 H18 F N2 O4 P
SMILES:	O=P(O)(O)CC1=CC(=O)N(C)c2cc(c(F)cc21)N1CCCC1
InChi:	InChI=1S/C15H18FN2O4P/c1-17-13-8-14(18-4-2-3-5-18)12(16)7-11(13)10(6-15(17)19)9-23(20,21)22/h6-8H,2-5,9H2,1H3,(H2,20,21,22)
Definition date:	2024-08-23
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	{[6-fluoro-1-methyl-2-oxo-7-(pyrrolidin-1-yl)-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid

IU8

IU8
Name:	1-{4-[3-(trifluoromethyl)anilino]-2H-isoindol-2-yl}propan-1-one
Formula:	C18 H15 F3 N2 O
SMILES:	FC(F)(F)c1cc(ccc1)Nc1cccc2cn(cc21)C(=O)CC
InChi:	InChI=1S/C18H15F3N2O/c1-2-17(24)23-10-12-5-3-8-16(15(12)11-23)22-14-7-4-6-13(9-14)18(19,20)21/h3-11,22H,2H2,1H3
Synonyms:	1-{4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form
Definition date:	2022-01-28
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-{4-[3-(trifluoromethyl)anilino]-2H-isoindol-2-yl}propan-1-one

A1EKV

A1EKV
Name:	3-[bis(fluoranyl)methyl]-~{N}-cyclopropyl-~{N}-[2-(2,4-dichlorophenyl)prop-2-enyl]-5-fluoranyl-1-methyl-pyrazole-4-carboxamide
Formula:	C18 H16 Cl2 F3 N3 O
SMILES:	Cn1nc(C(F)F)c(c1F)C(=O)N(CC(=C)c2ccc(Cl)cc2Cl)C3CC3
InChi:	InChI=1S/C18H16Cl2F3N3O/c1-9(12-6-3-10(19)7-13(12)20)8-26(11-4-5-11)18(27)14-15(16(21)22)24-25(2)17(14)23/h3,6-7,11,16H,1,4-5,8H2,2H3
Definition date:	2025-01-26
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	3-[bis(fluoranyl)methyl]-~{N}-cyclopropyl-~{N}-[2-(2,4-dichlorophenyl)prop-2-enyl]-5-fluoranyl-1-methyl-pyrazole-4-carboxamide

A1H4U

A1H4U
Name:	3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-~{N}-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-benzamide
Formula:	C27 H21 F3 N6 O
SMILES:	Cc1ccc(cc1C#Cc2cnc(NC3CC3)nc2)C(=O)Nc4cc(cc(c4)C(F)(F)F)n5ccnc5
InChi:	InChI=1S/C27H21F3N6O/c1-17-2-4-20(10-19(17)5-3-18-14-32-26(33-15-18)35-22-6-7-22)25(37)34-23-11-21(27(28,29)30)12-24(13-23)36-9-8-31-16-36/h2,4,8-16,22H,6-7H2,1H3,(H,34,37)(H,32,33,35)
Definition date:	2024-02-16
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-~{N}-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-benzamide

A1CC9

A1CC9
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(3~{S},4~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
Formula:	C18 H26 N4 O23 P4
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O
InChi:	InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8?,11-,12?,13-,14?,15-,16?/m1/s1
Definition date:	2025-05-19
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(3~{S},4~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate

A1CD7

A1CD7
Name:	advantame
Formula:	C24 H30 N2 O7
SMILES:	Oc1cc(ccc1OC)CCCNC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)OC
InChi:	InChI=1S/C24H30N2O7/c1-32-21-11-10-17(14-20(21)27)9-6-12-25-18(15-22(28)29)23(30)26-19(24(31)33-2)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18-19,25,27H,6,9,12-13,15H2,1-2H3,(H,26,30)(H,28,29)/t18-,19-/m0/s1
Synonyms:	methyl N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalaninate
Definition date:	2025-05-26
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	methyl N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalaninate

EI2

EI2
Name:	1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}propan-1-one
Formula:	C18 H17 F3 N2 O
SMILES:	FC(F)(F)c1ccc(cc1)Nc1cccc2CN(Cc21)C(=O)CC
InChi:	InChI=1S/C18H17F3N2O/c1-2-17(24)23-10-12-4-3-5-16(15(12)11-23)22-14-8-6-13(7-9-14)18(19,20)21/h3-9,22H,2,10-11H2,1H3
Synonyms:	1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form
Definition date:	2021-12-06
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}propan-1-one

EI6

EI6
Name:	1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}propan-1-one
Formula:	C18 H23 F3 N2 O
SMILES:	FC(F)(F)c1ccc(cc1)NC1CCCC2CN(CC21)C(=O)CC
InChi:	InChI=1S/C18H23F3N2O/c1-2-17(24)23-10-12-4-3-5-16(15(12)11-23)22-14-8-6-13(7-9-14)18(19,20)21/h6-9,12,15-16,22H,2-5,10-11H2,1H3/t12-,15+,16+/m0/s1
Synonyms:	1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form
Definition date:	2021-12-06
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}propan-1-one

A1I1Y

A1I1Y
Name:	~{N}-[5-(3,5-dicyano-1,2,6-trimethyl-4~{H}-pyridin-4-yl)-6-fluoranyl-7-methyl-1~{H}-indazol-3-yl]-2-ethyl-benzamide
Formula:	C27 H25 F N6 O
SMILES:	CCc1ccccc1C(=O)Nc2n[nH]c3c(C)c(F)c(cc23)C4C(=C(C)N(C)C(=C4C#N)C)C#N
InChi:	InChI=1S/C27H25FN6O/c1-6-17-9-7-8-10-18(17)27(35)31-26-20-11-19(24(28)14(2)25(20)32-33-26)23-21(12-29)15(3)34(5)16(4)22(23)13-30/h7-11,23H,6H2,1-5H3,(H2,31,32,33,35)
Definition date:	2025-02-14
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	~{N}-[5-(3,5-dicyano-1,2,6-trimethyl-4~{H}-pyridin-4-yl)-6-fluoranyl-7-methyl-1~{H}-indazol-3-yl]-2-ethyl-benzamide

A1I5A

A1I5A
Name:	quinaprilat
Formula:	C23 H26 N2 O5
SMILES:	C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2Cc3ccccc3C[CH]2C(O)=O
InChi:	InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
Synonyms:	(3S)-2-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Definition date:	2025-03-03
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{S})-2-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1~{H}-isoquinoline-3-carboxylic acid

A1I9U

A1I9U
Name:	(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
Formula:	C9 H14 O8
SMILES:	C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O
InChi:	InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4+,5-,6-,7+,9-/m0/s1
Definition date:	2025-04-03
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

A1IEF

A1IEF
Name:	1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea
Formula:	C19 H27 N7 O
SMILES:	CCN(Cc1ccncc1)c2cc(C)nc(n2)N3CCC[CH]3CNC(N)=O
InChi:	InChI=1S/C19H27N7O/c1-3-25(13-15-6-8-21-9-7-15)17-11-14(2)23-19(24-17)26-10-4-5-16(26)12-22-18(20)27/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H3,20,22,27)/t16-/m0/s1
Definition date:	2024-06-13
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea

A1IF9

A1IF9
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
Formula:	C20 H28 N10 O20 P4
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(46-18)1-44-51(36,37)48-53(40,41)50-54(42,43)49-52(38,39)45-2-7-11(32)13(34)19(47-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
Definition date:	2024-06-27
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate

A1IFS

A1IFS
Name:	(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide
Formula:	C17 H27 N5 O3 S
SMILES:	CNC(=O)[CH]1CCCN1c2nc(C)cc(n2)N(C)C[CH]3CC[S](=O)(=O)C3
InChi:	InChI=1S/C17H27N5O3S/c1-12-9-15(21(3)10-13-6-8-26(24,25)11-13)20-17(19-12)22-7-4-5-14(22)16(23)18-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,18,23)/t13-,14+/m1/s1
Definition date:	2024-06-26
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(2~{S})-1-[4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-~{N}-methyl-pyrrolidine-2-carboxamide

A1IMO

A1IMO
Name:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-purine-2,6-dione
Formula:	C25 H34 Cl N5 O5
SMILES:	CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(OC4CC(C)(C)N(O)C(C)(C)C4)nc12
InChi:	InChI=1S/C25H34ClN5O5/c1-24(2)13-18(14-25(3,4)31(24)35)36-22-27-20-19(30(22)15-16-7-9-17(26)10-8-16)21(33)29(11-6-12-32)23(34)28(20)5/h7-10,18,32,35H,6,11-15H2,1-5H3
Definition date:	2024-08-27
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-purine-2,6-dione

A1IX3

A1IX3
Name:	3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
Formula:	C22 H27 N O4
SMILES:	OC(=O)CCc1ccc2ccc(OCC(=O)NC3CCCCCC3)cc2c1
InChi:	InChI=1S/C22H27NO4/c24-21(23-19-5-3-1-2-4-6-19)15-27-20-11-10-17-9-7-16(8-12-22(25)26)13-18(17)14-20/h7,9-11,13-14,19H,1-6,8,12,15H2,(H,23,24)(H,25,26)
Definition date:	2025-01-07
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid

A1IXY

A1IXY
Name:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
Formula:	C28 H29 N O6
SMILES:	OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O)NC5CCCCC5)cc4c3
InChi:	InChI=1S/C28H29NO6/c30-27(29-22-4-2-1-3-5-22)16-33-23-10-8-18-6-7-19(12-21(18)13-23)24(15-28(31)32)20-9-11-25-26(14-20)35-17-34-25/h6-14,22,24H,1-5,15-17H2,(H,29,30)(H,31,32)/t24-/m0/s1
Definition date:	2025-01-07
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid

A1IXZ

A1IXZ
Name:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
Formula:	C28 H27 N O6
SMILES:	OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O)N[CH]5CCCC=C5)cc4c3
InChi:	InChI=1S/C28H27NO6/c30-27(29-22-4-2-1-3-5-22)16-33-23-10-8-18-6-7-19(12-21(18)13-23)24(15-28(31)32)20-9-11-25-26(14-20)35-17-34-25/h2,4,6-14,22,24H,1,3,5,15-17H2,(H,29,30)(H,31,32)/t22-,24-/m0/s1
Definition date:	2025-01-07
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid

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