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ZDJ

ZDJ
Name:	3-methyl-L-tyrosine
Formula:	C10 H13 N O3
SMILES:	Cc1cc(CC(N)C(=O)O)ccc1O
InChi:	InChI=1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1
Definition date:	2021-04-15
Last modified:	2023-11-03
Release date:	2021-12-29
Identifier:	3-methyl-L-tyrosine

XAW

XAW
Name:	[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone
Formula:	C21 H28 Cl N3 O
SMILES:	O=C(N1CCN(CC1)c1cc(Cl)ccc1N)C12CC3CC(C1)CC(C3)C2
InChi:	InChI=1S/C21H28ClN3O/c22-17-1-2-18(23)19(10-17)24-3-5-25(6-4-24)20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13,23H2/t14-,15+,16-,21-
Definition date:	2022-11-08
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone

WCR

WCR
Name:	[(2R,4Z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid
Formula:	C13 H15 N3 O5
SMILES:	O=C(O)CN1C(=O)/C(NC1(O)CN)=C/c2ccc(O)cc2
InChi:	InChI=1S/C13H15N3O5/c14-7-13(21)15-10(12(20)16(13)6-11(18)19)5-8-1-3-9(17)4-2-8/h1-5,15,17,21H,6-7,14H2,(H,18,19)/b10-5-/t13-/m1/s1
Definition date:	2011-07-18
Last modified:	2023-11-03
Identifier:	[(2R,4Z)-2-(aminomethyl)-2-hydroxy-4-(4-hydroxybenzylidene)-5-oxoimidazolidin-1-yl]acetic acid

VVE

VVE
Name:	3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile
Formula:	C25 H19 Cl2 N3 O4
SMILES:	N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1c2ccccc2N(C(=O)CC)C1=O
InChi:	InChI=1S/C25H19Cl2N3O4/c1-2-24(31)30-21-6-4-3-5-20(21)29(25(30)32)9-10-33-23-14-17(26)7-8-22(23)34-19-12-16(15-28)11-18(27)13-19/h3-8,11-14H,2,9-10H2,1H3
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile

HG7

HG7
Name:	(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
Formula:	C13 H21 N3 O2
SMILES:	CN(C)CCCNC(=O)[CH](N)c1cccc(O)c1
InChi:	InChI=1S/C13H21N3O2/c1-16(2)8-4-7-15-13(18)12(14)10-5-3-6-11(17)9-10/h3,5-6,9,12,17H,4,7-8,14H2,1-2H3,(H,15,18)/t12-/m0/s1
Definition date:	2012-03-05
Last modified:	2023-11-03
Identifier:	(2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide

VVN

VVN
Name:	N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
Formula:	C21 H21 N3 O3
SMILES:	CCC(=O)N(C)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:	InChI=1S/C21H21N3O3/c1-3-21(25)23(2)11-12-26-19-7-4-5-8-20(19)27-18-9-6-10-24-15-16(14-22)13-17(18)24/h4-10,13,15H,3,11-12H2,1-2H3
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide

S5L

S5L
Name:	(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C29 H26 Cl N5 O3
SMILES:	CC(=O)Nc1ccc(cc1)NC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C29H26ClN5O3/c1-18(36)32-22-8-10-23(11-9-22)33-28(37)17-35-15-20-6-7-21(30)12-25(20)26(16-35)29(38)34-27-14-31-13-19-4-2-3-5-24(19)27/h2-14,26H,15-17H2,1H3,(H,32,36)(H,33,37)(H,34,38)/t26-/m1/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

HGL

HGL
Name:	(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid
Formula:	C9 H12 N6 O3
SMILES:	O=C(O)C(N)CCn1c2N=C(NC(=O)c2nc1)N
InChi:	InChI=1S/C9H12N6O3/c10-4(8(17)18)1-2-15-3-12-5-6(15)13-9(11)14-7(5)16/h3-4H,1-2,10H2,(H,17,18)(H3,11,13,14,16)/t4-/m0/s1
Definition date:	2008-02-12
Last modified:	2023-11-03
Identifier:	(2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid

WVL

WVL
Name:	(2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid
Formula:	C8 H15 N O2
SMILES:	O=C(O)C(N)C(C=C(/C)C)C
InChi:	InChI=1S/C8H15NO2/c1-5(2)4-6(3)7(9)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/t6-,7+/m1/s1
Definition date:	2013-06-18
Last modified:	2023-11-03
Release date:	2013-09-18
Identifier:	(2S,3R)-2-amino-3,5-dimethylhex-4-enoic acid

HGM

HGM
Name:	(2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
Formula:	C9 H11 N O3
SMILES:	CN[CH](C(O)=O)c1ccc(O)cc1
InChi:	InChI=1S/C9H11NO3/c1-10-8(9(12)13)6-2-4-7(11)5-3-6/h2-5,8,10-11H,1H3,(H,12,13)/t8-/m1/s1
Definition date:	2012-03-05
Last modified:	2023-11-03
Identifier:	(2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid

VW2

VW2
Name:	N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide
Formula:	C21 H20 Cl N3 O3
SMILES:	CCC(=O)N(C)CCOc1ccccc1Oc1cc(Cl)cn2cc(cc12)C#N
InChi:	InChI=1S/C21H20ClN3O3/c1-3-21(26)24(2)8-9-27-18-6-4-5-7-19(18)28-20-11-16(22)14-25-13-15(12-23)10-17(20)25/h4-7,10-11,13-14H,3,8-9H2,1-2H3
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide

YAC

YAC
Name:	(4Z)-6-oxo-6-phenylhex-4-enoic acid
Formula:	C12 H12 O3
SMILES:	O=C(C=C/CCC(=O)O)c1ccccc1
InChi:	InChI=1S/C12H12O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-4,6-8H,5,9H2,(H,14,15)/b8-4-
Definition date:	2014-10-02
Last modified:	2023-11-03
Release date:	2014-12-03
Identifier:	(4Z)-6-oxo-6-phenylhex-4-enoic acid

VWB

VWB
Name:	5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile
Formula:	C24 H22 N2 O3
SMILES:	O=C(CCOc1ccccc1Oc1cccc2cc(C#N)ccc21)N1CCCC1
InChi:	InChI=1S/C24H22N2O3/c25-17-18-10-11-20-19(16-18)6-5-9-21(20)29-23-8-2-1-7-22(23)28-15-12-24(27)26-13-3-4-14-26/h1-2,5-11,16H,3-4,12-15H2
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile

HGY

HGY
Name:	(2S)-amino(hydroxy)ethanoic acid
Formula:	C2 H5 N O3
SMILES:	O=C(O)C(O)N
InChi:	InChI=1S/C2H5NO3/c3-1(4)2(5)6/h1,4H,3H2,(H,5,6)/t1-/m0/s1
Synonyms:	2-hydroxyglycine
Definition date:	2014-04-10
Last modified:	2023-11-03
Release date:	2014-07-23
Identifier:	(2S)-amino(hydroxy)ethanoic acid

XC0

XC0
Name:	(2S)-2-aminooctanoic acid
Formula:	C8 H17 N O2
SMILES:	NC(CCCCCC)C(=O)O
InChi:	InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)/t7-/m0/s1
Definition date:	2022-11-10
Last modified:	2023-11-03
Release date:	2023-11-01
Identifier:	(2S)-2-aminooctanoic acid

VWK

VWK
Name:	3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide
Formula:	C22 H20 N2 O3
SMILES:	CN(C)C(=O)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21
InChi:	InChI=1S/C22H20N2O3/c1-24(2)22(25)12-13-26-20-7-3-4-8-21(20)27-19-9-5-6-17-14-16(15-23)10-11-18(17)19/h3-11,14H,12-13H2,1-2H3
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide

V1C

V1C
Name:	(2S)-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid
Formula:	C16 H21 N3 O2
SMILES:	CC(C)Cn1cc(cn1)c2ccc(C[CH](N)C(O)=O)cc2
InChi:	InChI=1S/C16H21N3O2/c1-11(2)9-19-10-14(8-18-19)13-5-3-12(4-6-13)7-15(17)16(20)21/h3-6,8,10-11,15H,7,9,17H2,1-2H3,(H,20,21)/t15-/m0/s1
Definition date:	2023-07-03
Last modified:	2023-11-03
Release date:	2023-11-01
Identifier:	(2~{S})-2-azanyl-3-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid

VHF

VHF
Name:	(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid
Formula:	C5 H10 N O7 P
SMILES:	N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1
Definition date:	2023-03-06
Last modified:	2023-11-03
Release date:	2023-03-15
Identifier:	(2~{S})-2-azanyl-5-oxidanylidene-5-phosphonooxy-pentanoic acid

S6K

S6K
Name:	1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
Formula:	C27 H25 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)C(=O)N(CC2C)c1cncc2ccccc21
InChi:	InChI=1S/C27H25ClN4O3S/c1-18-13-32(24-12-30-11-19-4-2-3-5-22(19)24)25(33)27(18)16-31(14-20-6-7-21(28)10-23(20)27)36(34,35)17-26(15-29)8-9-26/h2-7,10-12,18H,8-9,13-14,16-17H2,1H3/t18-,27-/m0/s1
Definition date:	2023-08-22
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile

VWU

VWU
Name:	2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide
Formula:	C17 H13 Cl3 N2 O2
SMILES:	Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)CCl
InChi:	InChI=1S/C17H13Cl3N2O2/c18-9-17(23)22-4-3-11-1-2-15(20)16(7-11)24-14-6-12(10-21)5-13(19)8-14/h1-2,5-8H,3-4,9H2,(H,22,23)
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide

YTF

YTF
Name:	ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate
Formula:	C9 H18 N2 O3
SMILES:	CCOC(=O)CC[CH](N)CCC(N)=O
InChi:	InChI=1S/C9H18N2O3/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h7H,2-6,10H2,1H3,(H2,11,12)/t7-/m0/s1
Definition date:	2023-02-21
Last modified:	2023-11-03
Release date:	2023-03-01
Identifier:	ethyl (4~{S})-4,7-bis(azanyl)-7-oxidanylidene-heptanoate

UN1

UN1
Name:	2-AMINOHEXANEDIOIC ACID
Formula:	C6 H11 N O4
SMILES:	O=C(O)CCCC(N)C(=O)O
InChi:	InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
Definition date:	2002-06-19
Last modified:	2023-11-03
Identifier:	(2S)-2-aminohexanedioic acid

YTH

YTH
Name:	O-phosphono-L-allothreonine
Formula:	C4 H10 N O6 P
SMILES:	O=P(OC(C)C(N)C(=O)O)(O)O
InChi:	InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3-/m0/s1
Definition date:	2014-10-07
Last modified:	2023-11-03
Release date:	2014-12-03
Identifier:	O-phosphono-L-allothreonine

HHK

HHK
Name:	(2S)-2,8-DIAMINOOCTANOIC ACID
Formula:	C8 H18 N2 O2
SMILES:	O=C(O)C(N)CCCCCCN
InChi:	InChI=1S/C8H18N2O2/c9-6-4-2-1-3-5-7(10)8(11)12/h7H,1-6,9-10H2,(H,11,12)/t7-/m0/s1
Definition date:	2004-12-07
Last modified:	2023-11-03
Identifier:	(2S)-2,8-diaminooctanoic acid

ZGL

ZGL
Name:	D-alpha-glutamine
Formula:	C5 H10 N2 O3
SMILES:	O=C(N)C(N)CCC(=O)O
InChi:	InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1
Synonyms:	Iso-D-glutamine
Definition date:	2011-10-27
Last modified:	2023-11-03
Identifier:	D-alpha-glutamine

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