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NFK

NFK
Name:	N'-Formylkynurenine
Formula:	C11 H12 N2 O4
SMILES:	O=C(O)C(CC(c1ccccc1NC=O)=O)N
InChi:	InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)/t8-/m0/s1
Synonyms:	(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid
Definition date:	2016-10-04
Last modified:	2023-11-03
Release date:	2016-10-26
Identifier:	(2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid

PIA

PIA
Name:	[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C14 H15 N3 O4
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)C)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H15N3O4/c1-8(15)13-16-11(14(21)17(13)7-12(19)20)6-9-2-4-10(18)5-3-9/h2-6,8,18H,7,15H2,1H3,(H,19,20)/b11-6-/t8-/m0/s1
Definition date:	2001-06-22
Last modified:	2023-11-03
Identifier:	[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

NU0

NU0
Name:	2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide
Formula:	C16 H12 Cl N3 O
SMILES:	Clc1cccc(c1)CC(=O)Nc1cncc2ccncc21
InChi:	InChI=1S/C16H12ClN3O/c17-13-3-1-2-11(6-13)7-16(21)20-15-10-19-8-12-4-5-18-9-14(12)15/h1-6,8-10H,7H2,(H,20,21)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide

T69

T69
Name:	(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid
Formula:	C19 H35 N O4 S
SMILES:	CC(=C/C1NC(SC1)C(C)C(O)CC(C)CC(O)C(C)(C)C)C(=O)O
InChi:	InChI=1S/C19H35NO4S/c1-11(8-16(22)19(4,5)6)7-15(21)13(3)17-20-14(10-25-17)9-12(2)18(23)24/h9,11,13-17,20-22H,7-8,10H2,1-6H3,(H,23,24)/b12-9+/t11-,13-,14-,15-,16-,17+/m0/s1
Definition date:	2022-07-18
Last modified:	2023-11-03
Release date:	2023-05-24
Identifier:	(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid

P3L

P3L
Name:	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C15 H17 Cl N2 O3
SMILES:	O=C1CC(CCN1)NC(=O)C1CCOc2ccc(Cl)cc21
InChi:	InChI=1S/C15H17ClN2O3/c16-9-1-2-13-12(7-9)11(4-6-21-13)15(20)18-10-3-5-17-14(19)8-10/h1-2,7,10-11H,3-6,8H2,(H,17,19)(H,18,20)/t10-,11-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide

P3Q

P3Q
Name:	2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine
Formula:	C21 H24 N2 O5
SMILES:	N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O
InChi:	InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1
Definition date:	2009-11-19
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid

O9O

O9O
Name:	N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide
Formula:	C23 H18 Cl N3 O3
SMILES:	COc1cccc(Oc2cc(NC(=O)Cc3cncc4ccccc43)cc(Cl)c2)n1
InChi:	InChI=1S/C23H18ClN3O3/c1-29-22-7-4-8-23(27-22)30-19-11-17(24)10-18(12-19)26-21(28)9-16-14-25-13-15-5-2-3-6-20(15)16/h2-8,10-14H,9H2,1H3,(H,26,28)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide

XYX

XYX
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide
Formula:	C24 H23 B N O5
SMILES:	CC(=O)c1ccc(cc1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C24H23BNO5/c1-16(27)17-8-10-18(11-9-17)20-5-3-7-22(14-20)26-23(28)13-12-19-4-2-6-21-15-31-25(29,30)24(19)21/h2-11,14,29-30H,12-13,15H2,1H3,(H,26,28)/q-1
Definition date:	2023-06-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide

O9X

O9X
Name:	(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
Formula:	C10 H12 F2 N2 O2
SMILES:	O=C(Nc1cnccc1C)C(C)OC(F)F
InChi:	InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m1/s1
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide

XZC

XZC
Name:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide
Formula:	C23 H23 B N O5
SMILES:	COc1cccc(c1)c2cccc(NC(=O)CCc3cccc4CO[B-](O)(O)c34)c2
InChi:	InChI=1S/C23H23BNO5/c1-29-21-10-4-7-18(14-21)17-6-3-9-20(13-17)25-22(26)12-11-16-5-2-8-19-15-30-24(27,28)23(16)19/h2-10,13-14,27-28H,11-12,15H2,1H3,(H,25,26)/q-1
Definition date:	2023-06-09
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide

USC

USC
Name:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
Formula:	C9 H9 N O6 S
SMILES:	O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C
InChi:	InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
Definition date:	2011-12-08
Last modified:	2023-11-03
Release date:	2013-01-11
Identifier:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid

5OL

5OL
Name:	N~6~-(1,1-dihydroxyethyl)-L-lysine
Formula:	C8 H18 N2 O4
SMILES:	C(CCCCNC(C)(O)O)(C(=O)O)N
InChi:	InChI=1S/C8H18N2O4/c1-8(13,14)10-5-3-2-4-6(9)7(11)12/h6,10,13-14H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
Definition date:	2015-10-29
Last modified:	2023-11-03
Release date:	2016-07-27
Identifier:	N~6~-(1,1-dihydroxyethyl)-L-lysine

5OM

5OM
Name:	(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid
Formula:	C10 H19 N O5
SMILES:	OC(CCCCCC(N)C(=O)O)(O)C1OC1
InChi:	InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1
Definition date:	2015-10-29
Last modified:	2023-11-03
Release date:	2016-07-27
Identifier:	(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid

RXU

RXU
Name:	2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
Formula:	C24 H27 Cl N4 O2
SMILES:	CNC(=O)CN1Cc2ccc(Cl)cc2C2(CCN(C2=O)c2cncc3CCCCc32)C1
InChi:	InChI=1S/C24H27ClN4O2/c1-26-22(30)14-28-13-17-6-7-18(25)10-20(17)24(15-28)8-9-29(23(24)31)21-12-27-11-16-4-2-3-5-19(16)21/h6-7,10-12H,2-5,8-9,13-15H2,1H3,(H,26,30)/t24-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide

NUR

NUR
Name:	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide
Formula:	C18 H15 Cl N2 O
SMILES:	Clc1cccc(c1)CC(=O)N(C)c1cncc2ccccc21
InChi:	InChI=1S/C18H15ClN2O/c1-21(18(22)10-13-5-4-7-15(19)9-13)17-12-20-11-14-6-2-3-8-16(14)17/h2-9,11-12H,10H2,1H3
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide

P4E

P4E
Name:	(2S,4E)-2-amino-5-phenylpent-4-enoic acid
Formula:	C11 H13 N O2
SMILES:	O=C(O)C(N)C/C=C/c1ccccc1
InChi:	InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
Definition date:	2011-10-13
Last modified:	2023-11-03
Identifier:	(2S,4E)-2-amino-5-phenylpent-4-enoic acid

02V

02V
Name:	(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid
Formula:	C9 H11 N O4
SMILES:	O=C(O)C(c1cc(O)c(O)cc1)NC
InChi:	InChI=1S/C9H11NO4/c1-10-8(9(13)14)5-2-3-6(11)7(12)4-5/h2-4,8,10-12H,1H3,(H,13,14)/t8-/m0/s1
Definition date:	2011-06-10
Last modified:	2023-11-03
Identifier:	(2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid

PJ6

PJ6
Name:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C20 H17 Cl N2 O3
SMILES:	Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H17ClN2O3/c1-25-20(8-9-26-18-7-6-14(21)10-16(18)20)19(24)23-17-12-22-11-13-4-2-3-5-15(13)17/h2-7,10-12H,8-9H2,1H3,(H,23,24)/t20-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide

5OW

5OW
Name:	(2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid
Formula:	C17 H27 N4 O9 P S
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(c1O)C(NCCCC[CH](N)C(O)=O)=N[CH](CS)C(O)=O
InChi:	InChI=1S/C17H27N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,22,32H,2-5,7-8,18H2,1H3,(H,19,21)(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12-/m0/s1
Definition date:	2015-10-30
Last modified:	2023-11-03
Release date:	2016-11-09
Identifier:	(2~{S})-2-azanyl-6-[[(~{Z})-~{C}-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-~{N}-[(2~{R})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbonimidoyl]amino]hexanoic acid

TLX

TLX
Name:	N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE
Formula:	C13 H27 N3
SMILES:	N21CCCC1N(CCC2)CC(N)CC(C)C
InChi:	InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2S)-1-[(8aR)-hexahydropyrrolo[1,2-a]pyrimidin-1(2H)-yl]-4-methylpentan-2-amine

VNW

VNW
Name:	8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid
Formula:	C11 H10 N2 O2 Se
SMILES:	C[Se]c1cc(nc2c(N)cccc12)C(O)=O
InChi:	InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)
Definition date:	2023-09-14
Last modified:	2023-11-03
Release date:	2023-10-11
Identifier:	8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid

PJE

PJE
Name:	(E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
Formula:	C9 H14 N2 O3
SMILES:	N[CH](C[CH]1CCNC1=O)C=CC(O)=O
InChi:	InChI=1S/C9H14N2O3/c10-7(1-2-8(12)13)5-6-3-4-11-9(6)14/h1-2,6-7H,3-5,10H2,(H,11,14)(H,12,13)/b2-1+/t6-,7+/m0/s1
Definition date:	2015-11-24
Last modified:	2023-11-03
Release date:	2015-12-02
Identifier:	(E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid

OAO

OAO
Name:	2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide
Formula:	C18 H17 Cl N4 O3
SMILES:	Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc(Cl)c2)on1
InChi:	InChI=1S/C18H17ClN4O3/c1-11-3-4-20-9-16(11)22-17(24)7-13-5-14(19)8-15(6-13)25-10-18-21-12(2)23-26-18/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)
Definition date:	2023-08-17
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide

PJJ

PJJ
Name:	(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
Formula:	C19 H23 N O3
SMILES:	O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2
InChi:	InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1
Definition date:	2010-08-20
Last modified:	2023-11-03
Identifier:	(2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid

RYB

RYB
Name:	1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:	C30 H32 Cl N5 O4 S
SMILES:	CN(C)CCOc1cc2c(cc1)cncc2N1CCC2(CN(Cc3ccc(Cl)cc32)S(=O)(=O)CC2(C#N)CC2)C1=O
InChi:	InChI=1S/C30H32ClN5O4S/c1-34(2)11-12-40-24-6-4-21-15-33-16-27(25(21)14-24)36-10-9-30(28(36)37)19-35(17-22-3-5-23(31)13-26(22)30)41(38,39)20-29(18-32)7-8-29/h3-6,13-16H,7-12,17,19-20H2,1-2H3/t30-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile

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