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TRX

TRX
Name:	6-HYDROXYTRYPTOPHAN
Formula:	C11 H12 N2 O3
SMILES:	O=C(O)C(N)Cc2c1ccc(O)cc1nc2
InChi:	InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
Definition date:	2001-10-29
Last modified:	2023-11-03
Identifier:	6-hydroxy-L-tryptophan

KEO

KEO
Name:	e(R)-beta-lysyl-hydroxylysine
Formula:	C12 H26 N4 O4
SMILES:	NCCC[CH](N)CC(=O)NCC[CH](O)C[CH](N)C(O)=O
InChi:	InChI=1S/C12H26N4O4/c13-4-1-2-8(14)6-11(18)16-5-3-9(17)7-10(15)12(19)20/h8-10,17H,1-7,13-15H2,(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1
Definition date:	2017-10-05
Last modified:	2023-11-03
Release date:	2017-11-22
Identifier:	(2~{S},4~{S})-2-azanyl-6-[[(3~{S})-3,6-bis(azanyl)hexanoyl]amino]-4-oxidanyl-hexanoic acid

UZ4

UZ4
Name:	(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid
Formula:	C8 H14 N2 O4
SMILES:	NC(C(O)C(O)=O)CC1CCNC1=O
InChi:	InChI=1S/C8H14N2O4/c9-5(6(11)8(13)14)3-4-1-2-10-7(4)12/h4-6,11H,1-3,9H2,(H,10,12)(H,13,14)/t4-,5-,6+/m0/s1
Definition date:	2020-06-08
Last modified:	2023-11-03
Release date:	2020-06-17
Identifier:	(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid

VTN

VTN
Name:	N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide
Formula:	C18 H14 Cl2 N2 O2
SMILES:	Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCNC(=O)C=C
InChi:	InChI=1S/C18H14Cl2N2O2/c1-2-18(23)22-6-5-12-3-4-16(20)17(9-12)24-15-8-13(11-21)7-14(19)10-15/h2-4,7-10H,1,5-6H2,(H,22,23)
Definition date:	2023-09-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}prop-2-enamide

VTS

VTS
Name:	N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide
Formula:	C19 H16 Cl2 N2 O3
SMILES:	Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)OCCN(C)C(=O)C=C
InChi:	InChI=1S/C19H16Cl2N2O3/c1-3-19(24)23(2)6-7-25-15-4-5-17(21)18(11-15)26-16-9-13(12-22)8-14(20)10-16/h3-5,8-11H,1,6-7H2,2H3
Definition date:	2023-09-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide

VTV

VTV
Name:	N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide
Formula:	C19 H16 Cl2 N2 O2
SMILES:	Clc1ccc(cc1Oc1cc(C#N)cc(Cl)c1)CCN(C)C(=O)C=C
InChi:	InChI=1S/C19H16Cl2N2O2/c1-3-19(24)23(2)7-6-13-4-5-17(21)18(10-13)25-16-9-14(12-22)8-15(20)11-16/h3-5,8-11H,1,6-7H2,2H3
Definition date:	2023-09-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}-N-methylprop-2-enamide

KF2

KF2
Name:	[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid
Formula:	C16 H26 N O3 P
SMILES:	CC(C)C[CH](C[P](O)(=O)[CH](N)CCc1ccccc1)C=O
InChi:	InChI=1S/C16H26NO3P/c1-13(2)10-15(11-18)12-21(19,20)16(17)9-8-14-6-4-3-5-7-14/h3-7,11,13,15-16H,8-10,12,17H2,1-2H3,(H,19,20)/t15-,16+/m0/s1
Definition date:	2019-05-16
Last modified:	2023-11-03
Release date:	2019-12-18
Identifier:	[(1~{R})-1-azanyl-3-phenyl-propyl]-[(2~{S})-2-methanoyl-4-methyl-pentyl]phosphinic acid

UKD

UKD
Name:	3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
Formula:	C5 H9 N4 O5 P
SMILES:	OP(=O)(O)c1nnn(c1)CC(N)C(O)=O
InChi:	InChI=1S/C5H9N4O5P/c6-3(5(10)11)1-9-2-4(7-8-9)15(12,13)14/h2-3H,1,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1
Synonyms:	pHis
Definition date:	2020-05-20
Last modified:	2023-11-03
Release date:	2021-02-03
Identifier:	3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine

Y57

Y57
Name:	N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine
Formula:	C17 H28 N2 O2
SMILES:	C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1
InChi:	InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1
Definition date:	2021-02-04
Last modified:	2023-11-03
Release date:	2021-12-15
Identifier:	N~6~-(2-phenylethyl)-N~6~-propan-2-yl-L-lysine

Y58

Y58
Name:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
Formula:	C20 H27 N3 O9 S2
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(Sc4ccccc4)nn3)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H27N3O9S2/c24-7-10-14(26)13(23-6-12(21-22-23)33-9-4-2-1-3-5-9)16(28)19(31-10)34-20-18(30)17(29)15(27)11(8-25)32-20/h1-6,10-11,13-20,24-30H,7-8H2/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
Definition date:	2023-06-12
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol

VU8

VU8
Name:	N-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide
Formula:	C19 H16 Cl2 N2 O3
SMILES:	Clc1cc(OCCN(C)C(=O)C=C)c(Oc2cc(C#N)cc(Cl)c2)cc1
InChi:	InChI=1S/C19H16Cl2N2O3/c1-3-19(24)23(2)6-7-25-18-11-14(20)4-5-17(18)26-16-9-13(12-22)8-15(21)10-16/h3-5,8-11H,1,6-7H2,2H3
Definition date:	2023-09-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-{2-[5-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide

VUB

VUB
Name:	2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid
Formula:	C17 H21 N3 O4
SMILES:	CC(C)CC(=N)c1nc(Cc2ccc(O)cc2)c(O)n1CC(O)=O
InChi:	InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,10,18,21,24H,7-9H2,1-2H3,(H,22,23)/b18-13-
Definition date:	2023-04-05
Last modified:	2023-11-03
Release date:	2023-04-12
Identifier:	2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylbutanimidoyl)-5-oxidanyl-imidazol-1-yl]ethanoic acid

TSQ

TSQ
Name:	4-(trimethylsilyl)-L-phenylalanine
Formula:	C12 H19 N O2 Si
SMILES:	c1cc(CC(C(O)=O)N)ccc1[Si](C)(C)C
InChi:	InChI=1S/C12H19NO2Si/c1-16(2,3)10-6-4-9(5-7-10)8-11(13)12(14)15/h4-7,11H,8,13H2,1-3H3,(H,14,15)/t11-/m0/s1
Definition date:	2019-02-04
Last modified:	2023-11-03
Release date:	2020-09-09
Identifier:	4-(trimethylsilyl)-L-phenylalanine

UKY

UKY
Name:	3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
Formula:	C5 H9 N4 O5 P
SMILES:	C(O)(C(N)Cn1c(P(=O)(O)O)cnn1)=O
InChi:	InChI=1S/C5H9N4O5P/c6-3(5(10)11)2-9-4(1-7-8-9)15(12,13)14/h1,3H,2,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1
Definition date:	2020-05-20
Last modified:	2023-11-03
Release date:	2021-02-03
Identifier:	3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine

KFU

KFU
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C18 H13 Cl N2 O2
SMILES:	Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

XPL

XPL
Name:	N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine
Formula:	C12 H24 N4 O3
SMILES:	O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C
InChi:	InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1
Synonyms:	4-amino reduced pyrrolysine
Definition date:	2014-07-30
Last modified:	2023-11-03
Identifier:	N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine

X9B

X9B
Name:	(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Formula:	C24 H27 Cl N4 O4
SMILES:	CC(C)(OC)COc1cnccc1c1[NH]c2CCNC(=O)c2c1Nc1cccc(Cl)c1OC
InChi:	InChI=1S/C24H27ClN4O4/c1-24(2,32-4)13-33-18-12-26-10-8-14(18)20-21(19-16(28-20)9-11-27-23(19)30)29-17-7-5-6-15(25)22(17)31-3/h5-8,10,12,28-29H,9,11,13H2,1-4H3,(H,27,30)
Definition date:	2022-11-07
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

XPR

XPR
Name:	(2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid
Formula:	C9 H15 N O6 S
SMILES:	O=S(=O)(O)OC1CCC2CC(C(=O)O)NC2C1
InChi:	InChI=1S/C9H15NO6S/c11-9(12)8-3-5-1-2-6(4-7(5)10-8)16-17(13,14)15/h5-8,10H,1-4H2,(H,11,12)(H,13,14,15)/t5-,6+,7-,8-/m0/s1
Definition date:	2010-11-05
Last modified:	2023-11-03
Identifier:	(2S,3aS,6R,7aS)-6-(sulfooxy)octahydro-1H-indole-2-carboxylic acid

X9H

X9H
Name:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
Formula:	C23 H20 N6 O
SMILES:	C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1
InChi:	InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1
Definition date:	2022-11-07
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide

YNM

YNM
Name:	N-METHYL-L-TYROSINE
Formula:	C10 H13 N O3
SMILES:	O=C(O)C(NC)Cc1ccc(O)cc1
InChi:	InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)/t9-/m0/s1
Definition date:	2009-09-03
Last modified:	2023-11-03
Identifier:	N-methyl-L-tyrosine

KG9

KG9
Name:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C24 H21 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

X9Q

X9Q
Name:	{(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
Formula:	C14 H17 N3 O3
SMILES:	O=C1C(=NC(N1CC(=O)O)C(N)C)Cc2ccccc2
InChi:	InChI=1S/C14H17N3O3/c1-9(15)13-16-11(7-10-5-3-2-4-6-10)14(20)17(13)8-12(18)19/h2-6,9,13H,7-8,15H2,1H3,(H,18,19)/t9-,13-/m0/s1
Synonyms:	CHROMOPHORE (ALA, PHE, GLY)
Definition date:	2007-03-22
Last modified:	2023-11-03
Identifier:	{(2S)-2-[(1S)-1-aminoethyl]-4-benzyl-5-oxo-2,5-dihydro-1H-imidazol-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

Z7Z

Z7Z
Name:	biphenyl-4-carboxylic acid
Formula:	C13 H10 O2
SMILES:	O=C(O)c2ccc(c1ccccc1)cc2
InChi:	InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
Definition date:	2012-12-17
Last modified:	2023-11-03
Release date:	2021-09-01
Identifier:	biphenyl-4-carboxylic acid

TTQ

TTQ
Name:	6-AMINO-7-HYDROXY-L-TRYPTOPHAN
Formula:	C11 H13 N3 O3
SMILES:	O=C(O)C(N)Cc2c1ccc(c(O)c1nc2)N
InChi:	InChI=1S/C11H13N3O3/c12-7-2-1-6-5(3-8(13)11(16)17)4-14-9(6)10(7)15/h1-2,4,8,14-15H,3,12-13H2,(H,16,17)/t8-/m0/s1
Definition date:	2006-08-21
Last modified:	2023-11-03
Identifier:	6-amino-7-hydroxy-L-tryptophan

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