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I4O

I4O
Name:	Histidine oxo-vanadium complex
Formula:	C6 H8 N3 O6 V
SMILES:	N[CH](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O
InChi:	InChI=1S/C6H9N3O2.4O.V/c7-5(6(10)11)1-4-2-8-3-9-4
Synonyms:	[4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium
Definition date:	2022-02-11
Last modified:	2023-11-03
Release date:	2023-02-01
Identifier:	[4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium

3WS

3WS
Name:	N,2-dimethyl-L-alanine
Formula:	C5 H11 N O2
SMILES:	O=C(O)C(NC)(C)C
InChi:	InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)
Definition date:	2014-12-01
Last modified:	2023-11-03
Release date:	2015-03-25
Identifier:	N,2-dimethyl-L-alanine

3WT

3WT
Name:	(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid
Formula:	C10 H21 N O3
SMILES:	O=C(O)CC(OC)C(NC)C(C)CC
InChi:	InChI=1S/C10H21NO3/c1-5-7(2)10(11-3)8(14-4)6-9(12)13/h7-8,10-11H,5-6H2,1-4H3,(H,12,13)/t7-,8+,10-/m0/s1
Definition date:	2014-12-01
Last modified:	2023-11-03
Release date:	2015-03-25
Identifier:	(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid

3WU

3WU
Name:	(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid
Formula:	C9 H17 N O3
SMILES:	O=C(O)C(C(OC)C1NCCC1)C
InChi:	InChI=1S/C9H17NO3/c1-6(9(11)12)8(13-2)7-4-3-5-10-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+,8-/m1/s1
Definition date:	2014-12-01
Last modified:	2023-11-03
Release date:	2015-03-25
Identifier:	(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid

3WX

3WX
Name:	2-methyl-L-proline
Formula:	C6 H11 N O2
SMILES:	O=C(O)C1(NCCC1)C
InChi:	InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1
Definition date:	2014-12-01
Last modified:	2023-11-03
Release date:	2015-03-25
Identifier:	2-methyl-L-proline

I7F

I7F
Name:	O-hydroxy-L-serine
Formula:	C3 H7 N O4
SMILES:	N[CH](COO)C(O)=O
InChi:	InChI=1S/C3H7NO4/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Synonyms:	(2S)-2-amino-3-hydroperoxypropanoic acid
Definition date:	2022-02-17
Last modified:	2023-11-03
Release date:	2022-10-26
Identifier:	(2~{S})-2-azanyl-3-(dioxidanyl)propanoic acid

3YM

3YM
Name:	3-methoxy-L-tyrosine
Formula:	C10 H13 N O4
SMILES:	O=C(O)C(N)Cc1cc(OC)c(O)cc1
InChi:	InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1
Definition date:	2012-10-29
Last modified:	2023-11-03
Release date:	2013-10-30
Identifier:	3-methoxy-L-tyrosine

3ZH

3ZH
Name:	11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid
Formula:	C31 H51 N3 O4
SMILES:	O=C(O)C(N)CC1=CN(CCCCCCCCCCC(=O)O)CN1CCCCCCCCc2ccccc2
InChi:	InChI=1S/C31H51N3O4/c32-29(31(37)38)24-28-25-33(22-16-9-5-2-1-3-8-15-21-30(35)36)26-34(28)23-17-10-6-4-7-12-18-27-19-13-11-14-20-27/h11,13-14,19-20,25,29H,1-10,12,15-18,21-24,26,32H2,(H,35,36)(H,37,38)/t29-/m0/s1
Definition date:	2014-12-12
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	11-{4-[(2S)-2-amino-2-carboxyethyl]-3-(8-phenyloctyl)-2,3-dihydro-1H-imidazol-1-yl}undecanoic acid

40A

40A
Name:	N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine
Formula:	C12 H17 N7 O3
SMILES:	O=C(O)CN(C(=O)Cn1c2ncnc(c2nc1)N)CC(N)C
InChi:	InChI=1S/C12H17N7O3/c1-7(13)2-18(4-9(21)22)8(20)3-19-6-17-10-11(14)15-5-16-12(10)19/h5-7H,2-4,13H2,1H3,(H,21,22)(H2,14,15,16)/t7-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-aminopropyl]-N-[(6-amino-9H-purin-9-yl)acetyl]glycine

40C

40C
Name:	N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
Formula:	C11 H17 N5 O4
SMILES:	O=C(N(CC(=O)O)CC(N)C)CN1C=CC(=NC1=O)N
InChi:	InChI=1S/C11H17N5O4/c1-7(12)4-16(6-10(18)19)9(17)5-15-3-2-8(13)14-11(15)20/h2-3,7H,4-6,12H2,1H3,(H,18,19)(H2,13,14,20)/t7-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine

40G

40G
Name:	N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
Formula:	C12 H17 N7 O4
SMILES:	O=C(O)CN(C(=O)Cn1c2N=C(NC(=O)c2nc1)N)CC(N)C
InChi:	InChI=1S/C12H17N7O4/c1-6(13)2-18(4-8(21)22)7(20)3-19-5-15-9-10(19)16-12(14)17-11(9)23/h5-6H,2-4,13H2,1H3,(H,21,22)(H3,14,16,17,23)/t6-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine

IAE

IAE
Name:	(2S)-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
Formula:	C11 H12 F3 N O2
SMILES:	N[CH](CCc1ccc(cc1)C(F)(F)F)C(O)=O
InChi:	InChI=1S/C11H12F3NO2/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17/h1-2,4-5,9H,3,6,15H2,(H,16,17)/t9-/m0/s1
Definition date:	2022-06-23
Last modified:	2023-11-03
Release date:	2023-07-26
Identifier:	(2~{S})-2-azanyl-4-[4-(trifluoromethyl)phenyl]butanoic acid

40T

40T
Name:	N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C12 H18 N4 O5
SMILES:	O=C(N(CC(=O)O)CC(N)C)CN1C=C(C(=O)NC1=O)C
InChi:	InChI=1S/C12H18N4O5/c1-7-3-16(12(21)14-11(7)20)5-9(17)15(4-8(2)13)6-10(18)19/h3,8H,4-6,13H2,1-2H3,(H,18,19)(H,14,20,21)/t8-/m0/s1
Definition date:	2010-04-26
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-aminopropyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine

IAM

IAM
Name:	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE
Formula:	C13 H20 N2 O2
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CNC(C)C
InChi:	InChI=1S/C13H20N2O2/c1-9(2)15-8-11-5-3-10(4-6-11)7-12(14)13(16)17/h3-6,9,12,15H,7-8,14H2,1-2H3,(H,16,17)/t12-/m0/s1
Definition date:	2004-11-19
Last modified:	2023-11-03
Identifier:	4-{[(1-methylethyl)amino]methyl}-L-phenylalanine

IAR

IAR
Name:	(2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid
Formula:	C6 H12 N4 O2
SMILES:	O=C(O)C(=[N@H])CCCNC(=[N@H])N
InChi:	InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)/b7-4+
Definition date:	2010-07-20
Last modified:	2023-11-03
Identifier:	(2E)-5-carbamimidamido-2-iminopentanoic acid

IAS

IAS
Name:	BETA-L-ASPARTIC ACID
Formula:	C4 H7 N O4
SMILES:	O=C(O)CC(N)C(=O)O
InChi:	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
Synonyms:	L-aspartic acid
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	L-aspartic acid

41H

41H
Name:	(betaS)-beta-methyl-L-phenylalanine
Formula:	C10 H13 N O2
SMILES:	O=C(O)C(N)C(c1ccccc1)C
InChi:	InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9-/m0/s1
Definition date:	2015-01-09
Last modified:	2023-11-03
Release date:	2016-02-03
Identifier:	(betaS)-beta-methyl-L-phenylalanine

IB9

IB9
Name:	Beta-tyrosine
Formula:	C9 H11 N O3
SMILES:	N[CH](CC(O)=O)c1ccc(O)cc1
InChi:	InChI=1S/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
Synonyms:	(3S)-3-azanyl-3-(4-hydroxyphenyl)propanoic acid
Definition date:	2022-03-08
Last modified:	2023-11-03
Release date:	2023-01-18
Identifier:	(3~{S})-3-azanyl-3-(4-hydroxyphenyl)propanoic acid

41Q

41Q
Name:	4-imino-L-homoserine
Formula:	C4 H8 N2 O3
SMILES:	O=C(O)C(N)CC(=[N@H])O
InChi:	InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
Definition date:	2015-01-15
Last modified:	2023-11-03
Release date:	2015-10-07
Identifier:	4-imino-L-homoserine

IBU

IBU
Name:	2-methylpropyl hydrogen carbonate
Formula:	C5 H10 O3
SMILES:	O=C(O)OCC(C)C
InChi:	InChI=1S/C5H10O3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3,(H,6,7)
Definition date:	2008-03-14
Last modified:	2023-11-03
Identifier:	2-methylpropyl hydrogen carbonate

IC0

IC0
Name:	Fmoc-(S)-2-(4-pentenyl)-glycine
Formula:	C7 H13 N O2
SMILES:	N[CH](CCCC=C)C(O)=O
InChi:	InChI=1S/C7H13NO2/c1-2-3-4-5-6(8)7(9)10/h2,6H,1,3-5,8H2,(H,9,10)/t6-/m0/s1
Synonyms:	(2S)-2-azanylhept-6-enoic acid
Definition date:	2022-03-08
Last modified:	2023-11-03
Release date:	2022-05-18
Identifier:	(2~{S})-2-azanylhept-6-enoic acid

IEY

IEY
Name:	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-1H-imidazol-1-yl}acetic acid
Formula:	C17 H16 N4 O4
SMILES:	O=C(O)Cn2c(O)c(nc2C=Cc1ncnc1)Cc3ccc(O)cc3
InChi:	InChI=1S/C17H16N4O4/c22-13-4-1-11(2-5-13)7-14-17(25)21(9-16(23)24)15(20-14)6-3-12-8-18-10-19-12/h1-6,8,10,14,22H,7,9H2,(H,18,19)(H,23,24)/b6-3+/t14-/m0/s1
Synonyms:	CHROMOPHORE (HIS-TYR-GLY)
Definition date:	2005-06-01
Last modified:	2023-11-03
Identifier:	{5-hydroxy-4-(4-hydroxybenzyl)-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-1H-imidazol-1-yl}acetic acid

IGL

IGL
Name:	ALPHA-AMINO-2-INDANACETIC ACID
Formula:	C11 H13 N O2
SMILES:	O=C(O)C(N)C2Cc1ccccc1C2
InChi:	InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(2R)-amino(2,3-dihydro-1H-inden-2-yl)ethanoic acid

II7

II7
Name:	cis-3-aminocyclobutane carboxylic acid
Formula:	C5 H9 N O2
SMILES:	N[CH]1C[CH](C1)C(O)=O
InChi:	InChI=1S/C5H9NO2/c6-4-1-3(2-4)5(7)8/h3-4H,1-2,6H2,(H,7,8)/t3-,4+
Synonyms:	3-azanylcyclobutane-1-carboxylic acid
Definition date:	2022-03-21
Last modified:	2023-11-03
Release date:	2023-03-22
Identifier:	3-azanylcyclobutane-1-carboxylic acid

IIC

IIC
Name:	4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CHROMOPHORE
Formula:	C11 H15 N5 O4
SMILES:	O=C1C(=NC(N1CC(=O)O)C(N)CO)Cc2cncn2
InChi:	InChI=1S/C11H15N5O4/c12-7(4-17)10-15-8(1-6-2-13-5-14-6)11(20)16(10)3-9(18)19/h2,5,7,10,17H,1,3-4,12H2,(H,13,14)(H,18,19)/t7-,10-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(2S)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(1H-imidazol-5-ylmethyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetic acid

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