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NB6

NB6
Name:	2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H13 Br N2 O
SMILES:	O=C(Nc1cnccc1C)Cc1cccc(Br)c1
InChi:	InChI=1S/C14H13BrN2O/c1-10-5-6-16-9-13(10)17-14(18)8-11-3-2-4-12(15)7-11/h2-7,9H,8H2,1H3,(H,17,18)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide

NBQ

NBQ
Name:	2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
Formula:	C23 H22 N2 O6
SMILES:	O=C(O)C(N)Cc3c(O)cc(O)c(NC(=CC=O)COc2cc1ccccc1cc2)c3
InChi:	InChI=1S/C23H22N2O6/c24-19(23(29)30)10-16-11-20(22(28)12-21(16)27)25-17(7-8-26)13-31-18-6-5-14-3-1-2-4-15(14)9-18/h1-9,11-12,19,25,27-28H,10,13,24H2,(H,29,30)/b17-7+/t19-/m0/s1
Definition date:	2004-03-08
Last modified:	2023-11-03
Identifier:	2-hydroxy-5-({(1E)-1-[(naphthalen-2-yloxy)methyl]-3-oxoprop-1-en-1-yl}amino)-L-tyrosine

4KY

4KY
Name:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline
Formula:	C15 H25 N O4
SMILES:	C(=C)CCCCCCOC1CC(C(=O)O)N(C1)C(C)=O
InChi:	InChI=1S/C15H25NO4/c1-3-4-5-6-7-8-9-20-13-10-14(15(18)19)16(11-13)12(2)17/h3,13-14H,1,4-11H2,2H3,(H,18,19)/t13-,14+/m1/s1
Definition date:	2015-04-01
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline

4L0

4L0
Name:	(4R)-1-acetyl-4-(hexyloxy)-L-proline
Formula:	C13 H23 N O4
SMILES:	N1(CC(CC1C(=O)O)OCCCCCC)C(C)=O
InChi:	InChI=1S/C13H23NO4/c1-3-4-5-6-7-18-11-8-12(13(16)17)14(9-11)10(2)15/h11-12H,3-9H2,1-2H3,(H,16,17)/t11-,12+/m1/s1
Synonyms:	(4R)-1-acetyl-4-(hex-5-en-1-yloxy)-L-proline (bound form)
Definition date:	2015-04-02
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(hexyloxy)-L-proline

NCB

NCB
Name:	N-CARBAMOYL-ALANINE
Formula:	C4 H8 N2 O3
SMILES:	O=C(O)C(NC(=O)N)C
InChi:	InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m1/s1
Definition date:	1999-10-10
Last modified:	2023-11-03
Identifier:	N-carbamoyl-D-alanine

4LJ

4LJ
Name:	1.7.6 3-bromanylpropan-1-amine
Formula:	C3 H8 Br N
SMILES:	NCCCBr
InChi:	InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2
Definition date:	2015-04-10
Last modified:	2023-11-03
Release date:	2015-09-16
Identifier:	3-bromanylpropan-1-amine

4LT

4LT
Name:	(2R)-2-fluoropropanoic acid
Formula:	C3 H5 F O2
SMILES:	C(C(C)F)(O)=O
InChi:	InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m1/s1
Definition date:	2015-12-29
Last modified:	2023-11-03
Release date:	2016-11-02
Identifier:	(2R)-2-fluoropropanoic acid

4LZ

4LZ
Name:	O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine
Formula:	C11 H15 N4 O3
SMILES:	C(C(N)Cc1ccc(OCCN=[N+]=N)cc1)(=O)O
InChi:	InChI=1S/C11H14N4O3/c12-10(11(16)17)7-8-1-3-9(4-2-8)18-6-5-14-15-13/h1-4,10,13H,5-7,12H2/p+1/t10-/m0/s1
Definition date:	2015-04-14
Last modified:	2023-11-03
Release date:	2015-05-06
Identifier:	O-[2-(triaza-1,2-dien-2-ium-1-yl)ethyl]-L-tyrosine

NCY

NCY
Name:	N-METHYLCYSTEINE
Formula:	C4 H9 N O2 S
SMILES:	O=C(O)C(NC)CS
InChi:	InChI=1S/C4H9NO2S/c1-5-3(2-8)4(6)7/h3,5,8H,2H2,1H3,(H,6,7)/t3-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	N-methyl-L-cysteine

4MM

4MM
Name:	N,N,N-trimethylmethionine
Formula:	C8 H18 N O2 S
SMILES:	CSCCC([N+](C)(C)C)C(=O)O
InChi:	InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m0/s1
Synonyms:	(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium
Definition date:	2011-06-04
Last modified:	2023-11-03
Identifier:	(1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium

NDI

NDI
Name:	2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C14 H20 N4 O2
SMILES:	O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C
InChi:	InChI=1S/C14H20N4O2/c1-11-3-4-15-9-13(11)16-14(20)10-17-5-7-18(8-6-17)12(2)19/h3-4,9H,5-8,10H2,1-2H3,(H,16,20)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide

4NT

4NT
Name:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C15 H16 Cl N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(Cl)c(cc2)O
InChi:	InChI=1S/C15H16ClN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2015-04-21
Last modified:	2023-11-03
Release date:	2015-06-10
Identifier:	[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(3-chloro-4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

4NU

4NU
Name:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	C15 H15 Cl2 N3 O5
SMILES:	NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=CC2C=C(Cl)C(C(=C2)Cl)=O
InChi:	InChI=1S/C15H15Cl2N3O5/c1-6(21)12(18)14-19-10(15(25)20(14)5-11(22)23)4-7-2-8(16)13(24)9(17)3-7/h2-4,6-7,12,21H,5,18H2,1H3,(H,22,23)/b10-4-/t6-,12+/m1/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2015-04-21
Last modified:	2023-11-03
Release date:	2015-06-10
Identifier:	{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

NEP

NEP
Name:	N1-PHOSPHONOHISTIDINE
Formula:	C6 H10 N3 O5 P
SMILES:	O=P(O)(O)n1cc(nc1)CC(C(=O)O)N
InChi:	InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-9(3-8-4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1
Definition date:	1999-07-26
Last modified:	2023-11-03
Identifier:	1-phosphono-L-histidine

4OG

4OG
Name:	3-(1-benzothiophen-3-yl)-L-alanine
Formula:	C11 H11 N O2 S
SMILES:	c12scc(c1cccc2)CC(N)C(O)=O
InChi:	InChI=1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1
Definition date:	2015-04-28
Last modified:	2023-11-03
Release date:	2016-03-02
Identifier:	3-(1-benzothiophen-3-yl)-L-alanine

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

4OU

4OU
Name:	4-(acryloylamino)-L-phenylalanine
Formula:	C12 H14 N2 O3
SMILES:	c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N
InChi:	InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1
Definition date:	2015-04-29
Last modified:	2023-11-03
Release date:	2015-05-20
Identifier:	4-(acryloylamino)-L-phenylalanine

4PH

4PH
Name:	4-methyl-L-phenylalanine
Formula:	C10 H13 N O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)C
InChi:	InChI=1S/C10H13NO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m0/s1
Definition date:	2008-01-18
Last modified:	2023-11-03
Identifier:	4-methyl-L-phenylalanine

4PQ

4PQ
Name:	5-hydroxy-L-tryptophan
Formula:	C11 H12 N2 O3
SMILES:	NC(C(=O)O)Cc1cnc2ccc(cc12)O
InChi:	InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
Synonyms:	Oxitriptan
Definition date:	2015-05-01
Last modified:	2023-11-03
Release date:	2017-01-11
Identifier:	5-hydroxy-L-tryptophan

4QK

4QK
Name:	6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine
Formula:	C10 H19 N5 O2
SMILES:	NC(CCCCn1cc(CCN)nn1)C(O)=O
InChi:	InChI=1S/C10H19N5O2/c11-5-4-8-7-15(14-13-8)6-2-1-3-9(12)10(16)17/h7,9H,1-6,11-12H2,(H,16,17)/t9-/m0/s1
Definition date:	2016-07-19
Last modified:	2023-11-03
Release date:	2016-09-21
Identifier:	6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine

EI4

EI4
Name:	Enduracididine
Formula:	C6 H12 N4 O2
SMILES:	N[CH](C[CH]1CNC(=N)N1)C(O)=O
InChi:	InChI=1S/C6H12N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4-/m0/s1
Definition date:	2022-01-05
Last modified:	2023-11-03
Release date:	2022-08-03
Identifier:	(2~{S})-2-azanyl-3-[(4~{S})-2-azanylideneimidazolidin-4-yl]propanoic acid

EJM

EJM
Name:	L-norleucine aldehyde
Formula:	C6 H13 N O
SMILES:	CCCC[CH](N)C=O
InChi:	InChI=1S/C6H13NO/c1-2-3-4-6(7)5-8/h5-6H,2-4,7H2,1H3/t6-/m0/s1
Synonyms:	(2S)-2-azanylhexanal
Definition date:	2022-01-11
Last modified:	2023-11-03
Release date:	2023-09-27
Identifier:	(2~{S})-2-azanylhexanal

ELL

ELL
Name:	(2S)-2-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propanal
Formula:	C7 H12 N2 O2
SMILES:	N[CH](C[CH]1CCNC1=O)C=O
InChi:	InChI=1S/C7H12N2O2/c8-6(4-10)3-5-1-2-9-7(5)11/h4-6H,1-3,8H2,(H,9,11)/t5-,6-/m0/s1
Definition date:	2020-01-14
Last modified:	2023-11-03
Release date:	2020-04-29
Identifier:	(2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propanal

4V0

4V0
Name:	3-(3H-azepin-5-yl)-L-alanine
Formula:	C9 H12 N2 O2
SMILES:	NC(C(=O)O)CC1=CCC=NC=C1
InChi:	InChI=1S/C9H12N2O2/c10-8(9(12)13)6-7-2-1-4-11-5-3-7/h2-5,8H,1,6,10H2,(H,12,13)/t8-/m0/s1
Definition date:	2015-06-03
Last modified:	2023-11-03
Release date:	2016-07-13
Identifier:	3-(3H-azepin-5-yl)-L-alanine

ELY

ELY
Name:	N~6~,N~6~-diethyl-L-lysine
Formula:	C10 H22 N2 O2
SMILES:	C(=O)(C(N)CCCCN(CC)CC)O
InChi:	InChI=1S/C10H22N2O2/c1-3-12(4-2)8-6-5-7-9(11)10(13)14/h9H,3-8,11H2,1-2H3,(H,13,14)/t9-/m0/s1
Synonyms:	(2S)-2-azanyl-6-(diethylamino)hexanoic acid
Definition date:	2011-03-25
Last modified:	2023-11-03
Identifier:	N~6~,N~6~-diethyl-L-lysine

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