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P8R

P8R
Name:	1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
Formula:	C24 H50 O12
SMILES:	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChi:	InChI=1S/C24H50O12/c1-25-3-5-27-7-9-29-11-13-31-15-17-33-19-21-35-23-24-36-22-20-34-18-16-32-14-12-30-10-8-28-6-4-26-2/h3-24H2,1-2H3
Definition date:	2023-08-24
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane

A1IA7

A1IA7
Name:	5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid
Formula:	C17 H12 N2 O4
SMILES:	OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc(cc2)c3ccccc3
InChi:	InChI=1S/C17H12N2O4/c20-14-13(17(22)23)18-15(19-16(14)21)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,20H,(H,22,23)(H,18,19,21)
Definition date:	2024-05-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1~{H}-pyrimidine-4-carboxylic acid

A1IA8

A1IA8
Name:	2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid
Formula:	C19 H13 N3 O4
SMILES:	OC(=O)C1=C(O)C(=O)NC(=N1)c2ccccc2c3ccc(CC#N)cc3
InChi:	InChI=1S/C19H13N3O4/c20-10-9-11-5-7-12(8-6-11)13-3-1-2-4-14(13)17-21-15(19(25)26)16(23)18(24)22-17/h1-8,23H,9H2,(H,25,26)(H,21,22,24)
Definition date:	2024-05-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidine-4-carboxylic acid

A1IB1

A1IB1
Name:	4-(phenylmethyl)piperidine
Formula:	C12 H17 N
SMILES:	C1CC(CCN1)Cc2ccccc2
InChi:	InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
Definition date:	2024-05-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	4-(phenylmethyl)piperidine

A1IBD

A1IBD
Name:	~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide
Formula:	C10 H16 N2 O2 S
SMILES:	C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1
InChi:	InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1
Definition date:	2024-05-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide

A1IBE

A1IBE
Name:	~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide
Formula:	C9 H13 F N2 O3 S
SMILES:	NC[CH](O)CN[S](=O)(=O)c1ccccc1F
InChi:	InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1
Definition date:	2024-05-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide

A1IBQ

A1IBQ
Name:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide
Formula:	C14 H14 F2 N2 O2 S
SMILES:	N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2
InChi:	InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1
Definition date:	2024-05-14
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide

A1IBR

A1IBR
Name:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide
Formula:	C15 H16 F2 N2 O2 S
SMILES:	CN(C[CH](N)c1ccccc1)[S](=O)(=O)c2cc(F)cc(F)c2
InChi:	InChI=1S/C15H16F2N2O2S/c1-19(10-15(18)11-5-3-2-4-6-11)22(20,21)14-8-12(16)7-13(17)9-14/h2-9,15H,10,18H2,1H3/t15-/m1/s1
Definition date:	2024-05-14
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide

A1L2I

A1L2I
Name:	Acarviosin
Formula:	C14 H25 N O8
SMILES:	CO[CH]1O[CH](C)[CH](N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
InChi:	InChI=1S/C14H25NO8/c1-5-8(11(19)13(21)14(22-2)23-5)15-7-3-6(4-16)9(17)12(20)10(7)18/h3,5,7-21H,4H2,1-2H3/t5-,7+,8-,9-,10+,11+,12+,13-,14+/m1/s1
Synonyms:	(1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol
Definition date:	2024-06-21
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol

A1LTQ

A1LTQ
Name:	ADP-RIBOXANATED ARGININE
Formula:	C21 H32 N8 O15 P2
SMILES:	N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2OC1=N)C(O)=O
InChi:	InChI=1S/C21H32N8O15P2/c22-8(20(33)34)2-1-3-28-19-15(43-21(28)24)13(31)10(42-19)5-40-46(37,38)44-45(35,36)39-4-9-12(30)14(32)18(41-9)29-7-27-11-16(23)25-6-26-17(11)29/h6-10,12-15,18-19,24,30-32H,1-5,22H2,(H,33,34)(H,35,36)(H,37,38)(H2,23,25,26)/b24-21+/t8-,9+,10+,12+,13+,14+,15+,18+,19-/m0/s1
Synonyms:	5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid
Definition date:	2024-01-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	5-[5-[[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-azanylidene-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-3-yl]-2-azanyl-pentanoic acid

C12

C12
Name:	2-(1-AMINO-2-HYDROXYPROPYL)-4-(4-HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-IMIDAZOL-5-OLATE
Formula:	C15 H18 N3 O5
SMILES:	[O-]c1c(nc(n1CC=O)C(N)C(O)C)Cc2ccc(O)cc2
InChi:	InChI=1S/C15H19N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,13,19-20,23H,6-7,16H2,1H3,(H,21,22)/p-1/t8-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2006-02-23
Last modified:	2024-06-28
Identifier:	2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1H-imidazol-5-olate

85L

85L
Name:	[[(2~{R})-2-azanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold
Formula:	C3 H6 Au2 Cl2 N O2 S
SMILES:	N[CH](C[S-]([Au]Cl)[Au]Cl)C(O)=O
InChi:	InChI=1S/C3H7NO2S.2Au.2ClH/c4-2(1-7)3(5)6
Definition date:	2021-10-01
Last modified:	2024-06-28
Release date:	2023-04-19
Identifier:	[[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-(chloranylaurio)sulfanuidyl]-chloranyl-gold

O0B

O0B
Name:	(2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal
Formula:	C6 H10 F3 N O2
SMILES:	C[CH](CC(F)(F)F)[CH](N)C(O)=O
InChi:	InChI=1S/C6H10F3NO2/c1-3(2-6(7,8)9)4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)/t3-,4-/m0/s1
Definition date:	2020-01-13
Last modified:	2024-06-28
Release date:	2021-01-27
Identifier:	(2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanoic acid

O4Q

O4Q
Name:	(~{E})-4-chloranyl-3-methyl-but-3-enal
Formula:	C5 H7 Cl O2
SMILES:	CC(CC(O)=O)=CCl
InChi:	InChI=1S/C5H7ClO2/c1-4(3-6)2-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+
Definition date:	2020-01-31
Last modified:	2024-06-28
Release date:	2020-03-04
Identifier:	(~{E})-4-chloranyl-3-methyl-but-3-enoic acid

O6H

O6H
Name:	2,4,6-trimethyl-L-phenylalanine
Formula:	C12 H17 N O2
SMILES:	Cc1cc(C)c(C[CH](N)C(O)=O)c(C)c1
InChi:	InChI=1S/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)/t11-/m0/s1
Synonyms:	(2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanal
Definition date:	2020-02-13
Last modified:	2024-06-28
Release date:	2021-01-27
Identifier:	(2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanoic acid

PXZ

PXZ
Name:	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE
Formula:	C16 H12 N2 O6
SMILES:	O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C
InChi:	InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23)
Synonyms:	PHENOXAZINE
Definition date:	1999-07-08
Last modified:	2024-06-28
Identifier:	2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde

Q2E

Q2E
Name:	(2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal
Formula:	C12 H14 N2 O2 S
SMILES:	CSc1[nH]c2ccccc2c1C[CH](N)C(O)=O
InChi:	InChI=1S/C12H14N2O2S/c1-17-11-8(6-9(13)12(15)16)7-4-2-3-5-10(7)14-11/h2-5,9,14H,6,13H2,1H3,(H,15,16)/t9-/m0/s1
Definition date:	2020-05-07
Last modified:	2024-06-28
Release date:	2021-05-19
Identifier:	(2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanoic acid

Q8X

Q8X
Name:	(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanal
Formula:	C14 H15 N3 O2 S
SMILES:	N[CH](CSCc1ccc(nc1)c2ccccn2)C(O)=O
InChi:	InChI=1S/C14H15N3O2S/c15-11(14(18)19)9-20-8-10-4-5-13(17-7-10)12-3-1-2-6-16-12/h1-7,11H,8-9,15H2,(H,18,19)/t11-/m0/s1
Definition date:	2022-07-20
Last modified:	2024-06-28
Release date:	2023-08-16
Identifier:	(2~{R})-2-azanyl-3-[(6-pyridin-2-ylpyridin-3-yl)methylsulfanyl]propanoic acid

QCN

QCN
Name:	(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanal
Formula:	C13 H19 N O3
SMILES:	CC(C)(C)c1cc(C[CH](N)C(O)=O)ccc1O
InChi:	InChI=1S/C13H19NO3/c1-13(2,3)9-6-8(4-5-11(9)15)7-10(14)12(16)17/h4-6,10,15H,7,14H2,1-3H3,(H,16,17)/t10-/m0/s1
Definition date:	2020-06-05
Last modified:	2024-06-28
Release date:	2021-06-30
Identifier:	(2~{S})-2-azanyl-3-(3-~{tert}-butyl-4-oxidanyl-phenyl)propanoic acid

PX1

PX1
Name:	(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-IMINO-4,6-DIMETHYL-3-OXO-2,3-DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE
Formula:	C16 H13 N3 O6
SMILES:	O=C2C(=[N@H])/C(/C1=Nc3c(OC1=C2C)c(c(cc3C=O)N)C)=CO
InChi:	InChI=1S/C16H13N3O6/c1-4-7(17)3-6(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3,18,23-24H,17H2,1-2H3,(H,21,22)/b18-9-
Definition date:	2003-09-10
Last modified:	2024-06-28
Identifier:	(1E,2E)-7-amino-1-(hydroxymethylidene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1H-phenoxazine-9-carbaldehyde

PXA

PXA
Name:	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE
Formula:	C15 H11 N3 O6
SMILES:	O=CC=2C1=Nc3c(ncc(c3OC1=C(C(=O)C=2N)C)C)C=O
InChi:	InChI=1S/C15H11N3O6/c1-4-3-17-10(15(22)23)9-12(4)24-13-5(2)11(19)7(16)6(14(20)21)8(13)18-9/h3H,16H2,1-2H3,(H,20,21)(H,22,23)
Synonyms:	(8-AZA)PHENOXAZINE
Definition date:	1999-07-08
Last modified:	2024-06-28
Identifier:	8-amino-4,6-dimethyl-7-oxo-7H-pyrido[4,3-b][1,4]benzoxazine-1,9-dicarbaldehyde

PXF

PXF
Name:	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE
Formula:	C16 H11 F N2 O6
SMILES:	C1(C=O)=C(N)C(=O)C(=C2Oc3c(cc(F)c(C=O)c3N=C12)C)C
InChi:	InChI=1S/C16H11FN2O6/c1-4-3-6(17)7(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3H,18H2,1-2H3,(H,21,22)(H,23,24)
Synonyms:	8-FLUORO-PHENOXAZINE
Definition date:	1999-07-08
Last modified:	2024-06-28
Identifier:	2-amino-8-fluoro-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde

QQ8

QQ8
Name:	(4~{S})-4-azanyl-5-formamido-pentanamide
Formula:	C6 H13 N3 O3
SMILES:	N[CH](CCC(N)=O)CNC(O)=O
InChi:	InChI=1S/C6H13N3O3/c7-4(1-2-5(8)10)3-9-6(11)12/h4,9H,1-3,7H2,(H2,8,10)(H,11,12)/t4-/m0/s1
Definition date:	2020-07-23
Last modified:	2024-06-28
Release date:	2021-06-09
Identifier:	[(2~{S})-2,5-bis(azanyl)-5-oxidanylidene-pentyl]carbamic acid

QQB

QQB
Name:	~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide
Formula:	C14 H16 N2 O2
SMILES:	N[CH](CNC(O)=O)Cc1cccc2ccccc12
InChi:	InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1
Definition date:	2020-07-23
Last modified:	2024-06-28
Release date:	2021-06-09
Identifier:	[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid

RNG

RNG
Name:	(6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT
Formula:	C11 H16 N2 O4
SMILES:	O=C1N2N(C(=O)CCC1)C(CCC2)CC=O
InChi:	InChI=1S/C11H16N2O4/c14-9-4-1-5-10(15)13-8(7-11(16)17)3-2-6-12(9)13/h8H,1-7H2,(H,16,17)/t8-/m1/s1
Synonyms:	FUSED RING FRAGMENT OF INHIBITOR
Definition date:	1999-07-08
Last modified:	2024-06-28
Identifier:	[(1R)-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepin-1-yl]acetaldehyde

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