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Q45

Q45
Name:	2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide
Formula:	C15 H24 N4 O3 S
SMILES:	O=C(CN1CCCCC1CCNS(C)(=O)=O)Nc1cccnc1
InChi:	InChI=1S/C15H24N4O3S/c1-23(21,22)17-9-7-14-6-2-3-10-19(14)12-15(20)18-13-5-4-8-16-11-13/h4-5,8,11,14,17H,2-3,6-7,9-10,12H2,1H3,(H,18,20)/t14-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide

NMM

NMM
Name:	(2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid
Formula:	C7 H16 N4 O2
SMILES:	O=C(O)C(N)CCCNC(=[N@H])NC
InChi:	InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
Synonyms:	L-NMMA
Definition date:	2005-12-28
Last modified:	2023-11-03
Identifier:	N~5~-(N-methylcarbamimidoyl)-L-ornithine

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

PAQ

PAQ
Name:	2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE
Formula:	C14 H16 N4 O4
SMILES:	O=C(O)C(N)CC2C=C(NNc1ncccc1)C(O)=CC2=O
InChi:	InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-[(1R)-4-hydroxy-6-oxo-3-(2-pyridin-2-ylhydrazino)cyclohexa-2,4-dien-1-yl]-L-alanine

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

ZSC

ZSC
Name:	5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
Formula:	C10 H11 N O6 S
SMILES:	O=S(=O)(N(c1cc(cc(c1)C(=O)O)C(=O)O)C)C
InChi:	InChI=1S/C10H11NO6S/c1-11(18(2,16)17)8-4-6(9(12)13)3-7(5-8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
Definition date:	2011-12-08
Last modified:	2023-11-03
Release date:	2012-11-16
Identifier:	5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid

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

PAT

PAT
Name:	ALPHA-PHOSPHONO-TRYPTOPHAN
Formula:	C11 H13 N2 O5 P
SMILES:	O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H13N2O5P/c12-11(10(14)15,19(16,17)18)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,13H,5,12H2,(H,14,15)(H2,16,17,18)
Definition date:	2001-03-12
Last modified:	2023-11-03
Identifier:	alpha-phosphono-L-tryptophan

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

OGU

OGU
Name:	2,3-diOH-butyric acid
Formula:	C4 H8 O4
SMILES:	C[CH](O)[CH](O)C(O)=O
InChi:	InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m0/s1
Synonyms:	(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid
Definition date:	2022-09-07
Last modified:	2023-11-03
Release date:	2023-08-16
Identifier:	(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid

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

PPI

PPI
Name:	PROPANOIC ACID
Formula:	C3 H6 O2
SMILES:	O=C(O)CC
InChi:	InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	propanoic acid

TDD

TDD
Name:	(2R)-2-amino-3,3-dimethyl-butanoic acid
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)(C)C
InChi:	InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1
Synonyms:	D-tert-leucine
Definition date:	2008-06-02
Last modified:	2023-11-03
Identifier:	3-methyl-D-valine

UZN

UZN
Name:	[(2~{S})-2-azanylhexyl]carbamic acid
Formula:	C7 H16 N2 O2
SMILES:	CCCC[CH](N)CNC(O)=O
InChi:	InChI=1S/C7H16N2O2/c1-2-3-4-6(8)5-9-7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
Definition date:	2019-10-12
Last modified:	2023-11-03
Release date:	2021-02-17
Identifier:	[(2~{S})-2-azanylhexyl]carbamic acid

TDF

TDF
Name:	4-(trifluoromethyl)-D-phenylalanine
Formula:	C10 H10 F3 N O2
SMILES:	FC(F)(F)c1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
Definition date:	2011-09-15
Last modified:	2023-11-03
Identifier:	4-(trifluoromethyl)-D-phenylalanine

OGZ

OGZ
Name:	[3-(trifluoromethyl)phenyl]methanamine
Formula:	C8 H8 F3 N
SMILES:	NCc1cccc(c1)C(F)(F)F
InChi:	InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
Definition date:	2020-03-09
Last modified:	2023-11-03
Release date:	2021-03-31
Identifier:	[3-(trifluoromethyl)phenyl]methanamine

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

O1I

O1I
Name:	(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide
Formula:	C15 H15 Cl N2 O2
SMILES:	O=C(Nc1cnccc1C)C(CO)c1cccc(Cl)c1
InChi:	InChI=1S/C15H15ClN2O2/c1-10-5-6-17-8-14(10)18-15(20)13(9-19)11-3-2-4-12(16)7-11/h2-8,13,19H,9H2,1H3,(H,18,20)/t13-/m1/s1
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide

Q4F

Q4F
Name:	1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one
Formula:	C14 H17 Cl N2 O
SMILES:	CC(=O)N1CC2CC1CN2Cc1cccc(Cl)c1
InChi:	InChI=1S/C14H17ClN2O/c1-10(18)17-9-13-6-14(17)8-16(13)7-11-3-2-4-12(15)5-11/h2-5,13-14H,6-9H2,1H3/t13-,14-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one

ZSN

ZSN
Name:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid
Formula:	C3 H7 N3 O3
SMILES:	O=C(N)CN(N)C(=O)O
InChi:	InChI=1S/C3H7N3O3/c4-2(7)1-6(5)3(8)9/h1,5H2,(H2,4,7)(H,8,9)
Synonyms:	Aza-asparagine
Definition date:	2012-06-01
Last modified:	2023-11-03
Release date:	2013-06-26
Identifier:	1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid

PPN

PPN
Name:	PARA-NITROPHENYLALANINE
Formula:	C9 H10 N2 O4
SMILES:	[O-][N+](=O)c1ccc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-nitro-L-phenylalanine

XA6

XA6
Name:	(2S)-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid
Formula:	C10 H12 N2 O3
SMILES:	N[CH](Cc1ccc(cc1)C(N)=O)C(O)=O
InChi:	InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-1-3-7(4-2-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2021-04-01
Last modified:	2023-11-03
Release date:	2021-12-15
Identifier:	(2~{S})-3-(4-aminocarbonylphenyl)-2-azanyl-propanoic acid

ZSX

ZSX
Name:	(2R)-amino(4-methoxyphenyl)acetic acid
Formula:	C9 H11 N O3
SMILES:	COc1ccc(cc1)C(N)C(=O)O
InChi:	InChI=1S/C9H11NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m1/s1
Definition date:	2023-03-30
Last modified:	2023-11-03
Release date:	2023-06-21
Identifier:	(2R)-amino(4-methoxyphenyl)acetic acid

TS9

TS9
Name:	(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid
Formula:	C6 H13 N O4
SMILES:	O=C(O)C(N)C(O)(C)C(O)C
InChi:	InChI=1S/C6H13NO4/c1-3(8)6(2,11)4(7)5(9)10/h3-4,8,11H,7H2,1-2H3,(H,9,10)/t3-,4-,6-/m1/s1
Definition date:	2008-03-11
Last modified:	2023-11-03
Identifier:	(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid (non-preferred name)

ZT1

ZT1
Name:	N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine
Formula:	C14 H26 N4 O2
SMILES:	Cn1cncc1CN(CCCCC(N)C(=O)O)C(C)C
InChi:	InChI=1S/C14H26N4O2/c1-11(2)18(9-12-8-16-10-17(12)3)7-5-4-6-13(15)14(19)20/h8,10-11,13H,4-7,9,15H2,1-3H3,(H,19,20)/t13-/m0/s1
Definition date:	2021-05-28
Last modified:	2023-11-03
Release date:	2021-07-21
Identifier:	N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine

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