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A1BVU

A1BVU
Name:	N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide
Formula:	C23 H27 F2 N3 O4
SMILES:	Cc1c(c(C)n(C)c1C(=O)C(=O)NC1CCC(O)CC1)C(=O)Nc1cc(ccc1)C(F)F
InChi:	InChI=1S/C23H27F2N3O4/c1-12-18(22(31)27-16-6-4-5-14(11-16)21(24)25)13(2)28(3)19(12)20(30)23(32)26-15-7-9-17(29)10-8-15/h4-6,11,15,17,21,29H,7-10H2,1-3H3,(H,26,32)(H,27,31)/t15-,17+
Definition date:	2025-02-03
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide

A1BZD

A1BZD
Name:	(morpholin-4-yl)[(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
Formula:	C16 H13 F3 N4 O3
SMILES:	O=C(c1cnc2c(cc(cn12)C(F)(F)F)c1cnco1)N1CCOCC1
InChi:	InChI=1S/C16H13F3N4O3/c17-16(18,19)10-5-11(13-7-20-9-26-13)14-21-6-12(23(14)8-10)15(24)22-1-3-25-4-2-22/h5-9H,1-4H2
Definition date:	2025-03-06
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	(morpholin-4-yl)[(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

A1BZE

A1BZE
Name:	[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
Formula:	C18 H15 F3 N4 O3
SMILES:	FC(F)(F)c1cc(c2cnco2)c2ncc(C(=O)N3C4CCC3COC4)n2c1
InChi:	InChI=1S/C18H15F3N4O3/c19-18(20,21)10-3-13(15-5-22-9-28-15)16-23-4-14(24(16)6-10)17(26)25-11-1-2-12(25)8-27-7-11/h3-6,9,11-12H,1-2,7-8H2/t11-,12+
Definition date:	2025-03-06
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

A1EAE

A1EAE
Name:	2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
Formula:	C20 H19 N3 O6
SMILES:	COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3cccc(CN)c3)cc12
InChi:	InChI=1S/C20H19N3O6/c1-28-20-15-8-13(29-12-4-2-3-11(7-12)9-21)5-6-14(15)18(26)17(23-20)19(27)22-10-16(24)25/h2-8,26H,9-10,21H2,1H3,(H,22,27)(H,24,25)
Definition date:	2024-08-07
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

A1ECU

A1ECU
Name:	2,2-bis(chloranyl)-~{N}-[5-[[5-chloranyl-4-[(2-dimethylphosphorylphenyl)amino]pyrimidin-2-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethanamide
Formula:	C31 H40 Cl3 N8 O3 P
SMILES:	COc1cc(N2CCC(CC2)N3CCN(C)CC3)c(NC(=O)C(Cl)Cl)cc1Nc4ncc(Cl)c(Nc5ccccc5[P](C)(C)=O)n4
InChi:	InChI=1S/C31H40Cl3N8O3P/c1-40-13-15-41(16-14-40)20-9-11-42(12-10-20)25-18-26(45-2)24(17-23(25)37-30(43)28(33)34)38-31-35-19-21(32)29(39-31)36-22-7-5-6-8-27(22)46(3,4)44/h5-8,17-20,28H,9-16H2,1-4H3,(H,37,43)(H2,35,36,38,39)
Definition date:	2024-10-01
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2,2-bis(chloranyl)-~{N}-[5-[[5-chloranyl-4-[(2-dimethylphosphorylphenyl)amino]pyrimidin-2-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethanamide

A1EM4

A1EM4
Name:	Doxazosin, (S)-
Formula:	C23 H25 N5 O5
SMILES:	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[CH]4COc5ccccc5O4
InChi:	InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)/t20-/m0/s1
Definition date:	2025-03-17
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(3~{S})-2,3-dihydro-1,4-benzodioxin-3-yl]methanone

A1EMV

A1EMV
Name:	Silodosin
Formula:	C25 H32 F3 N3 O4
SMILES:	C[CH](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc3ccccc3OCC(F)(F)F
InChi:	InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
Definition date:	2025-03-07
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	1-(3-oxidanylpropyl)-5-[(2~{R})-2-[2-[2-[2,2,2-tris(fluoranyl)ethoxy]phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide

A1IFT

A1IFT
Name:	Hydrogenobyrinic acid a,c-diamide
Formula:	C45 H62 N6 O12
SMILES:	CC1=C2NC(=CC3=NC(=C(C)C4=N[CH]([CH](CC(O)=O)[C]4(C)CCC(O)=O)[C]5(C)N=C1[CH](CCC(O)=O)[C]5(C)CC(N)=O)[CH](CCC(O)=O)C3(C)C)[CH](CCC(O)=O)[C]2(C)CC(N)=O
InChi:	InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,48H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,39-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
Synonyms:	3-[(1~{R},2~{S},3~{S},5~{Z},7~{S},8~{S},9~{Z},13~{S},14~{Z},17~{R},18~{R},19~{R})-2,7-bis(2-azanyl-2-oxidanylidene-ethyl)-18-(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	3-[(1~{R},2~{S},3~{S},5~{Z},7~{S},8~{S},9~{Z},13~{S},14~{Z},17~{R},18~{R},19~{R})-2,7-bis(2-azanyl-2-oxidanylidene-ethyl)-18-(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid

A1IFY

A1IFY
Name:	[(2~{R})-4-methyl-1-oxidanylidene-1-[[2-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]pentan-2-yl]phosphonic acid
Formula:	C19 H26 N3 O5 P
SMILES:	CC(C)C[CH](C(=O)Nc1cnc(nc1)c2ccc(OC(C)C)cc2)[P](O)(O)=O
InChi:	InChI=1S/C19H26N3O5P/c1-12(2)9-17(28(24,25)26)19(23)22-15-10-20-18(21-11-15)14-5-7-16(8-6-14)27-13(3)4/h5-8,10-13,17H,9H2,1-4H3,(H,22,23)(H2,24,25,26)/t17-/m1/s1
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R})-4-methyl-1-oxidanylidene-1-[[2-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]pentan-2-yl]phosphonic acid

A1IFZ

A1IFZ
Name:	[(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C18 H21 Cl2 N2 O6 P S
SMILES:	CC(C)C[CH](C(=O)Nc1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)[P](O)(O)=O
InChi:	InChI=1S/C18H21Cl2N2O6PS/c1-11(2)9-17(29(24,25)26)18(23)21-12-3-5-13(6-4-12)22-30(27,28)14-7-8-15(19)16(20)10-14/h3-8,10-11,17,22H,9H2,1-2H3,(H,21,23)(H2,24,25,26)/t17-/m1/s1
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

A1IHV

A1IHV
Name:	[(1~{S},5~{R})-8-[(~{R})-(3-fluorophenyl)-[1-(2-thiophen-3-ylethyl)-1,2,3-triazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-(5-methylpyridin-3-yl)methanone
Formula:	C28 H29 F N6 O S
SMILES:	Cc1cncc(c1)C(=O)N2C[CH]3CC[CH](C2)N3[CH](c4cccc(F)c4)c5cn(CCc6cscc6)nn5
InChi:	InChI=1S/C28H29FN6OS/c1-19-11-22(14-30-13-19)28(36)33-15-24-5-6-25(16-33)35(24)27(21-3-2-4-23(29)12-21)26-17-34(32-31-26)9-7-20-8-10-37-18-20/h2-4,8,10-14,17-18,24-25,27H,5-7,9,15-16H2,1H3/t24-,25+,27-/m1/s1
Definition date:	2024-07-09
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(1~{S},5~{R})-8-[(~{R})-(3-fluorophenyl)-[1-(2-thiophen-3-ylethyl)-1,2,3-triazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-(5-methylpyridin-3-yl)methanone

A1IJB

A1IJB
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
Formula:	C21 H27 N10 O9 P S
SMILES:	CSC[CH]1O[CH]([CH](O)[CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C21H27N10O9PS/c1-42-3-9-15(14(34)21(39-9)31-7-29-11-17(23)25-5-27-19(11)31)40-41(35,36)37-2-8-12(32)13(33)20(38-8)30-6-28-10-16(22)24-4-26-18(10)30/h4-9,12-15,20-21,32-34H,2-3H2,1H3,(H,35,36)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
Definition date:	2024-07-29
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate

A1IJJ

A1IJJ
Name:	[(2~{S})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C20 H24 Cl2 N3 O5 P
SMILES:	CC(C)C[CH](C(=O)N[CH](Cc1ccccn1)C(=O)Nc2ccc(Cl)c(Cl)c2)[P](O)(O)=O
InChi:	InChI=1S/C20H24Cl2N3O5P/c1-12(2)9-18(31(28,29)30)20(27)25-17(11-13-5-3-4-8-23-13)19(26)24-14-6-7-15(21)16(22)10-14/h3-8,10,12,17-18H,9,11H2,1-2H3,(H,24,26)(H,25,27)(H2,28,29,30)/t17-,18-/m0/s1
Definition date:	2024-07-31
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{S})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

A1IQU

A1IQU
Name:	~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-4-yl)benzamide
Formula:	C18 H14 N3 O2
SMILES:	ONC(=O)c1ccc(cc1)c2[nH]c3ccccc3[n+]4cccc24
InChi:	InChI=1S/C18H13N3O2/c22-18(20-23)13-9-7-12(8-10-13)17-16-6-3-11-21(16)15-5-2-1-4-14(15)19-17/h1-11H,(H2,19,20,22,23)/p+1
Definition date:	2024-10-02
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-10-ium-4-yl)benzamide

A1IQV

A1IQV
Name:	~{N}-oxidanyl-4-phenanthridin-6-yl-benzamide
Formula:	C20 H14 N2 O2
SMILES:	ONC(=O)c1ccc(cc1)c2nc3ccccc3c4ccccc24
InChi:	InChI=1S/C20H14N2O2/c23-20(22-24)14-11-9-13(10-12-14)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)21-19/h1-12,24H,(H,22,23)
Definition date:	2024-10-02
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	~{N}-oxidanyl-4-phenanthridin-6-yl-benzamide

A1IYP

A1IYP
Name:	~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
Formula:	C23 H26 N2 O2 S
SMILES:	CN(C[CH]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
InChi:	InChI=1S/C23H26N2O2S/c1-24(16-20-13-14-25(18-20)17-19-7-3-2-4-8-19)28(26,27)23-12-11-21-9-5-6-10-22(21)15-23/h2-12,15,20H,13-14,16-18H2,1H3
Definition date:	2025-01-14
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide

A1IYQ

A1IYQ
Name:	~{N}-methyl-~{N}-[[(3~{R})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
Formula:	C23 H26 N2 O2 S
SMILES:	CN(C[CH]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
InChi:	InChI=1S/C23H26N2O2S/c1-24(16-20-13-14-25(18-20)17-19-7-3-2-4-8-19)28(26,27)23-12-11-21-9-5-6-10-22(21)15-23/h2-12,15,20H,13-14,16-18H2,1H3
Definition date:	2025-01-14
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	~{N}-methyl-~{N}-[[(3~{R})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide

A1IZO

A1IZO
Name:	sulfato-terphen[3]arene complex
Formula:	C57 H42 O48 S12
SMILES:	O[S](=O)(=O)Oc1cc(O[S](O)(=O)=O)c2cc1Cc3cc(c(O[S](O)(=O)=O)cc3O[S](O)(=O)=O)c4ccc(cc4)c5cc(Cc6cc(c(O[S](O)(=O)=O)cc6O[S](O)(=O)=O)c7ccc(cc7)c8cc(Cc9cc(c(O[S](O)(=O)=O)cc9O[S](O)(=O)=O)c%10ccc2cc%10)c(O[S](O)(=O)=O)cc8O[S](O)(=O)=O)c(O[S](O)(=O)=O)cc5O[S](O)(=O)=O
InChi:	InChI=1S/C57H42O48S12/c58-106(59,60)94-46-22-52(100-112(76,77)78)40-16-34(46)13-36-18-42(54(102-114(82,83)84)24-48(36)96-108(64,65)66)30-5-7-32(8-6-30)44-20-38(50(98-110(70,71)72)26-56(44)104-116(88,89)90)15-39-21-45(57(105-117(91,92)93)27-51(39)99-111(73,74)75)33-11-9-31(10-12-33)43-19-37(49(97-109(67,68)69)25-55(43)103-115(85,86)87)14-35-17-41(29-2-1-28(40)3-4-29)53(101-113(79,80)81)23-47(35)95-107(61,62)63/h1-12,16-27H,13-15H2,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)
Definition date:	2025-01-23
Last modified:	2025-06-27
Release date:	2025-07-02

A1EQV

A1EQV
Name:	Macimorelin
Formula:	C26 H30 N6 O3
SMILES:	CC(C)(N)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](Cc3c[nH]c4ccccc34)NC=O
InChi:	InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1
Synonyms:	2-azanyl-N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide
Definition date:	2025-05-25
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2-azanyl-~{N}-[(2~{R})-1-[[(1~{R})-1-formamido-2-(1~{H}-indol-3-yl)ethyl]amino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

A1ESD

A1ESD
Name:	2-azanyl-N-[(2R)-1-[(3S)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide
Formula:	C31 H42 N6 O3
SMILES:	CN(C)N(C)C(=O)[C]1(CCCN(C1)C(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4ccccc4
InChi:	InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31+/m1/s1
Definition date:	2025-06-24
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2-azanyl-~{N}-[(2~{R})-1-[(3~{S})-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

A1I70

A1I70
Name:	(2~{S})-2-[[(~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid
Formula:	C19 H19 N O5
SMILES:	COc1cc(C=CC(=O)N[CH](Cc2ccccc2)C(O)=O)ccc1O
InChi:	InChI=1S/C19H19NO5/c1-25-17-12-14(7-9-16(17)21)8-10-18(22)20-15(19(23)24)11-13-5-3-2-4-6-13/h2-10,12,15,21H,11H2,1H3,(H,20,22)(H,23,24)/b10-8+/t15-/m0/s1
Definition date:	2025-03-25
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	(2~{S})-2-[[(~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid

A1IFF

A1IFF
Name:	(R)-amino-3-hydroxybutanoic acid
Formula:	C4 H9 N O3
SMILES:	NC[CH](O)CC(O)=O
InChi:	InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
Synonyms:	(R)-GABOB
Definition date:	2024-06-21
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	(3~{R})-4-azanyl-3-oxidanyl-butanoic acid

PYR

PYR
Name:	PYRUVIC ACID
Formula:	C3 H4 O3
SMILES:	O=C(C(=O)O)C
InChi:	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
Definition date:	1999-07-08
Last modified:	2025-06-27
Identifier:	2-oxopropanoic acid

A1L2O

A1L2O
Name:	(2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethanoyl]amino]-2-oxidanylidene-ethyl]-5-[[4-(1-methylpyridin-4-yl)-1,3-thiazol-2-yl]sulfanyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid
Formula:	C22 H24 N8 O8 P S4
SMILES:	CCON=C(C(=O)N[CH](C=O)[CH]1NC(=C(CS1)Sc2scc(n2)c3cc[n+](C)cc3)C(O)=O)c4nsc(N[P](O)(O)=O)n4
InChi:	InChI=1S/C22H23N8O8PS4/c1-3-38-27-16(17-26-21(43-29-17)28-39(35,36)37)18(32)23-12(8-31)19-25-15(20(33)34)14(10-40-19)42-22-24-13(9-41-22)11-4-6-30(2)7-5-11/h4-9,12,19,25H,3,10H2,1-2H3,(H4-,23,26,28,29,32,33,34,35,36,37)/p+1/b27-16-/t12-,19-/m1/s1
Definition date:	2024-07-01
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	(2~{R})-2-[(1~{R})-1-[[(2~{Z})-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethanoyl]amino]-2-oxidanylidene-ethyl]-5-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

A1L2P

A1L2P
Name:	(2~{S})-1-[[4-methoxy-2-[(2-methyl-3-phenyl-phenyl)methoxy]pyrimidin-5-yl]methyl]piperidine-2-carboxylic acid
Formula:	C26 H29 N3 O4
SMILES:	COc1nc(OCc2cccc(c2C)c3ccccc3)ncc1CN4CCCC[CH]4C(O)=O
InChi:	InChI=1S/C26H29N3O4/c1-18-20(11-8-12-22(18)19-9-4-3-5-10-19)17-33-26-27-15-21(24(28-26)32-2)16-29-14-7-6-13-23(29)25(30)31/h3-5,8-12,15,23H,6-7,13-14,16-17H2,1-2H3,(H,30,31)/t23-/m0/s1
Definition date:	2024-07-03
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	(2~{S})-1-[[4-methoxy-2-[(2-methyl-3-phenyl-phenyl)methoxy]pyrimidin-5-yl]methyl]piperidine-2-carboxylic acid

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