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562

562
Name:	N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine
Formula:	C12 H26 N7 O4
SMILES:	NC(CCCNC(=N)NCCOCCOCCN=[N+]=N)C(=O)O
InChi:	InChI=1S/C12H25N7O4/c13-10(11(20)21)2-1-3-16-12(14)17-4-6-22-8-9-23-7-5-18-19-15/h10,15H,1-9,13H2,(H3-,14,16,17,20,21)/p+1/t10-/m0/s1
Definition date:	2015-07-31
Last modified:	2023-11-03
Release date:	2018-03-14
Identifier:	N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine

56A

56A
Name:	3-(8-phenyloctyl)-L-histidine
Formula:	C20 H29 N3 O2
SMILES:	O=C(O)C(N)Cc1cncn1CCCCCCCCc2ccccc2
InChi:	InChI=1S/C20H29N3O2/c21-19(20(24)25)14-18-15-22-16-23(18)13-9-4-2-1-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-12,15-16,19H,1-4,6,9-10,13-14,21H2,(H,24,25)/t19-/m0/s1
Definition date:	2011-04-29
Last modified:	2023-11-03
Identifier:	3-(8-phenyloctyl)-L-histidine

56C

56C
Name:	N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine
Formula:	C14 H30 N7 O5
SMILES:	NC(C(=O)O)CCCNC(=N)NCCOCCOCCOCC/N=[N+]=N
InChi:	InChI=1S/C14H29N7O5/c15-12(13(22)23)2-1-3-18-14(16)19-4-6-24-8-10-26-11-9-25-7-5-20-21-17/h12,17H,1-11,15H2,(H3-,16,18,19,22,23)/p+1/t12-/m0/s1
Definition date:	2015-08-03
Last modified:	2023-11-03
Release date:	2018-03-14
Identifier:	N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine

22G

22G
Name:	N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine
Formula:	C18 H22 N2 O3
SMILES:	O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2
InChi:	InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1
Definition date:	2013-08-23
Last modified:	2023-11-03
Release date:	2014-01-15
Identifier:	N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine

22Q

22Q
Name:	(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione
Formula:	C9 H12 N2 O2 S
SMILES:	O=C1C(=N/C(C(=O)N1)=CS)CC(C)C
InChi:	InChI=1S/C9H12N2O2S/c1-5(2)3-6-8(12)11-9(13)7(4-14)10-6/h4-5,14H,3H2,1-2H3,(H,11,12,13)/b7-4-
Definition date:	2014-03-12
Last modified:	2023-11-03
Release date:	2015-05-20
Identifier:	(3Z)-5-(2-methylpropyl)-3-(sulfanylmethylidene)pyrazine-2,6(1H,3H)-dione

22W

22W
Name:	2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one
Formula:	C9 H12 N2 O2 S
SMILES:	S=C=C1/N=C(OC1=O)C(N)C(C)CC
InChi:	InChI=1S/C9H12N2O2S/c1-3-5(2)7(10)8-11-6(4-14)9(12)13-8/h5,7H,3,10H2,1-2H3/t5-,7-/m0/s1
Definition date:	2014-03-12
Last modified:	2023-11-03
Release date:	2015-05-20
Identifier:	2-[(1S,2S)-1-amino-2-methylbutyl]-4-(thioxomethylidene)-1,3-oxazol-5(4H)-one

23S

23S
Name:	(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2004-01-02
Last modified:	2023-11-03
Identifier:	3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine

24M

24M
Name:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid
Formula:	C12 H23 N O3
SMILES:	O=C(O)C1CCCC1C(O)C(N)CC(C)C
InChi:	InChI=1S/C12H23NO3/c1-7(2)6-10(13)11(14)8-4-3-5-9(8)12(15)16/h7-11,14H,3-6,13H2,1-2H3,(H,15,16)/t8-,9-,10+,11+/m1/s1
Definition date:	2011-02-15
Last modified:	2023-11-03
Identifier:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]cyclopentanecarboxylic acid

24O

24O
Name:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid
Formula:	C12 H21 N O4
SMILES:	O=C(O)C1CC(=O)CC1C(O)C(N)CC(C)C
InChi:	InChI=1S/C12H21NO4/c1-6(2)3-10(13)11(15)8-4-7(14)5-9(8)12(16)17/h6,8-11,15H,3-5,13H2,1-2H3,(H,16,17)/t8-,9-,10+,11+/m1/s1
Definition date:	2011-02-15
Last modified:	2023-11-03
Identifier:	(1R,2R)-2-[(1S,2S)-2-amino-1-hydroxy-4-methylpentyl]-4-oxocyclopentanecarboxylic acid

BMT

BMT
Name:	4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE
Formula:	C10 H19 N O3
SMILES:	O=C(O)C(NC)C(O)C(C/C=C/C)C
InChi:	InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid

BP4

BP4
Name:	biphenyl-4-ylacetic acid
Formula:	C14 H12 O2
SMILES:	O=C(O)Cc1ccc(cc1)c2ccccc2
InChi:	InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
Definition date:	2002-08-23
Last modified:	2023-11-03
Identifier:	biphenyl-4-ylacetic acid

BTK

BTK
Name:	N~6~-butanoyl-L-lysine
Formula:	C10 H20 N2 O3
SMILES:	O=C(O)C(N)CCCCNC(=O)CCC
InChi:	InChI=1S/C10H20N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2010-05-18
Last modified:	2023-11-03
Identifier:	N~6~-butanoyl-L-lysine

BTR

BTR
Name:	6-BROMO-TRYPTOPHAN
Formula:	C11 H11 Br N2 O2
SMILES:	O=C(O)C(N)Cc2c1ccc(Br)cc1nc2
InChi:	InChI=1S/C11H11BrN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	6-bromo-L-tryptophan

BWV

BWV
Name:	N~5~-(N-butylcarbamimidoyl)-L-ornithine
Formula:	C10 H22 N4 O2
SMILES:	NC(C(O)=O)CCCN/C(NCCCC)=N
InChi:	InChI=1S/C10H22N4O2/c1-2-3-6-13-10(12)14-7-4-5-8(11)9(15)16/h8H,2-7,11H2,1H3,(H,15,16)(H3,12,13,14)/t8-/m0/s1
Definition date:	2017-09-01
Last modified:	2023-11-03
Release date:	2017-12-13
Identifier:	N~5~-(N-butylcarbamimidoyl)-L-ornithine

BYR

BYR
Name:	3-bromo-L-tyrosine
Formula:	C9 H10 Br N O3
SMILES:	Brc1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10BrNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Definition date:	2013-12-17
Last modified:	2023-11-03
Release date:	2015-08-19
Identifier:	3-bromo-L-tyrosine

F7P

F7P
Name:	1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
Formula:	C16 H22 N2 O3
SMILES:	C(C(N)C(O)=O)c2c1ccccc1n(c2)C(C(C)O)(C)C
InChi:	InChI=1S/C16H22N2O3/c1-10(19)16(2,3)18-9-11(8-13(17)15(20)21)12-6-4-5-7-14(12)18/h4-7,9-10,13,19H,8,17H2,1-3H3,(H,20,21)/t10-,13+/m1/s1
Definition date:	2018-03-09
Last modified:	2023-11-03
Release date:	2019-06-05
Identifier:	1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan

F7W

F7W
Name:	7-Fluorotryptophan
Formula:	C11 H11 F N2 O2
SMILES:	N[CH](Cc1c[nH]c2c(F)cccc12)C(O)=O
InChi:	InChI=1S/C11H11FN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)/t9-/m0/s1
Definition date:	2017-06-09
Last modified:	2023-11-03
Release date:	2018-06-06
Identifier:	(2~{S})-2-azanyl-3-(7-fluoranyl-1~{H}-indol-3-yl)propanoic acid

F93

F93
Name:	(2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
Formula:	C9 H10 Cl N O4
SMILES:	N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O
InChi:	InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m1/s1
Definition date:	2020-04-16
Last modified:	2023-11-03
Release date:	2020-11-18
Identifier:	(2~{R},3~{S})-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid

FC0

FC0
Name:	N-CARBOXY-L-PHENYLALANINE
Formula:	C10 H11 N O4
SMILES:	O=C(O)C(NC(=O)O)Cc1ccccc1
InChi:	InChI=1S/C10H11NO4/c12-9(13)8(11-10(14)15)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2010-05-11
Last modified:	2023-11-03
Identifier:	N-carboxy-L-phenylalanine

FF9

FF9
Name:	(2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid
Formula:	C10 H18 N2 O4
SMILES:	CCC(=NCCCC[CH](N)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1
Definition date:	2020-05-08
Last modified:	2023-11-03
Release date:	2020-08-05
Identifier:	(2~{S})-2-azanyl-6-[(~{E})-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid

FHE

FHE
Name:	2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C22 H20 N4 O7
SMILES:	CC(=O)[CH](N)C1=NC(=Cc2ccc(OCc3ccccc3[N+]([O-])=O)cc2)C(=O)N1CC(O)=O
InChi:	InChI=1S/C22H20N4O7/c1-13(27)20(23)21-24-17(22(30)25(21)11-19(28)29)10-14-6-8-16(9-7-14)33-12-15-4-2-3-5-18(15)26(31)32/h2-10,20H,11-12,23H2,1H3,(H,28,29)/b17-10-/t20-/m0/s1
Definition date:	2018-07-06
Last modified:	2023-11-03
Release date:	2019-04-24
Identifier:	2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

FHL

FHL
Name:	(E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL)PROPYLIDENE]-L-LYSINE
Formula:	C11 H20 N2 O5
SMILES:	O=C(O)C(N)CCCC/N=C(/CO)CCC(=O)O
InChi:	InChI=1S/C11H20N2O5/c12-9(11(17)18)3-1-2-6-13-8(7-14)4-5-10(15)16/h9,14H,1-7,12H2,(H,15,16)(H,17,18)/b13-8+/t9-/m0/s1
Synonyms:	2-AMINO-6-(3-CARBOXY-1-HYDROXYMETHYL-PROPYLIDENEAMINO)-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-[3-carboxy-1-(hydroxymethyl)propylidene]-L-lysine

8SN

8SN
Name:	(3~{S},7~{R},10~{R},11~{R},13~{S})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
Formula:	C13 H18 N2 O3
SMILES:	C[CH]1C[CH](N2[CH]1C=C[CH]3CCN[CH]3C2=O)C(O)=O
InChi:	InChI=1S/C13H18N2O3/c1-7-6-10(13(17)18)15-9(7)3-2-8-4-5-14-11(8)12(15)16/h2-3,7-11,14H,4-6H2,1H3,(H,17,18)/t7-,8+,9+,10+,11+/m1/s1
Definition date:	2017-03-03
Last modified:	2023-11-03
Release date:	2018-03-21
Identifier:	(3~{S},7~{R},10~{R},11~{R},13~{S})-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid

92B

92B
Name:	(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
Formula:	C12 H16 N2 O3
SMILES:	OC(=O)[CH]1CC[CH]2C=C[CH]3CCN[CH]3C(=O)N12
InChi:	InChI=1S/C12H16N2O3/c15-11-10-7(5-6-13-10)1-2-8-3-4-9(12(16)17)14(8)11/h1-2,7-10,13H,3-6H2,(H,16,17)/t7-,8-,9-,10-/m0/s1
Definition date:	2017-04-03
Last modified:	2023-11-03
Release date:	2017-06-14
Identifier:	(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid

CR5

CR5
Name:	(2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-5-OXO-3-(2-OXOETHYL)-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM
Formula:	C6 H10 N3 O5
SMILES:	O=C1C(O)=[N+](CC(=O)O)C(O)(N1)CN
InChi:	InChI=1S/C6H9N3O5/c7-2-6(14)8-4(12)5(13)9(6)1-3(10)11/h14H,1-2,7H2,(H2,8,10,11,12)/p+1/t6-/m1/s1
Definition date:	2003-09-22
Last modified:	2023-11-03
Identifier:	(2R)-2-(aminomethyl)-3-(carboxymethyl)-2,4-dihydroxy-5-oxo-2,5-dihydro-1H-imidazol-3-ium

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