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BJF
BJF
Name:{2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid
Formula:C14 H25 N3 O3
SMILES:Oc1c(CC(C)C)nc(C(N)CC(C)C)n1CC(O)=O
InChi:InChI=1S/C14H25N3O3/c1-8(2)5-10(15)13-16-11(6-9(3)4)14(20)17(13)7-12(18)19/h8-10,20H,5-7,15H2,1-4H3,(H,18,19)/t10-/m0/s1
Synonyms:CHROMOPHORE (LEU-LEU-GLY)
Definition date:2019-02-06
Last modified:2023-11-03
Release date:2019-03-20
Identifier:{2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid
BJO
BJO
Name:(4Z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2H-imidazol-2-ylidene}butanoic acid
Formula:C16 H15 N3 O6
SMILES:O=C(CCC(=C2/N=C(C=C1/C=CC(C=C1)=O)C(=O)N2CC(=O)O)N)O
InChi:InChI=1S/C16H15N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7H,5-6,8,17H2,(H,21,22)(H,23,24)/b15-11-
Synonyms:CHROMOPHORE (GLU-TYR-GLY)
Definition date:2019-02-07
Last modified:2023-11-03
Release date:2019-03-20
Identifier:(4Z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2H-imidazol-2-ylidene}butanoic 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
SUJ
SUJ
Name:(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
Formula:C9 H16 N2 O5
SMILES:O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C
InChi:InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1
Definition date:2003-07-31
Last modified:2023-11-03
Identifier:(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid
SWG
SWG
Name:2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid
Formula:C16 H16 N4 O4
SMILES:N[CH](CO)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O
InChi:InChI=1S/C16H16N4O4/c17-11(8-21)15-19-13(16(24)20(15)7-14(22)23)5-9-6-18-12-4-2-1-3-10(9)12/h1-6,11,18,21H,7-8,17H2,(H,22,23)/b13-5-/t11-/m0/s1
Definition date:2011-03-25
Last modified:2023-11-03
Identifier:2-[(4Z)-2-[(1R)-1-amino-2-hydroxy-ethyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid
SZF
SZF
Name:1-methoxy-N-methyl-L-tryptophan
Formula:C13 H16 N2 O3
SMILES:O=C(O)C(NC)Cc1cn(OC)c2ccccc21
InChi:InChI=1S/C13H16N2O3/c1-14-11(13(16)17)7-9-8-15(18-2)12-6-4-3-5-10(9)12/h3-6,8,11,14H,7H2,1-2H3,(H,16,17)/t11-/m0/s1
Definition date:2022-07-13
Last modified:2023-11-03
Release date:2023-05-24
Identifier:1-methoxy-N-methyl-L-tryptophan
T17
T17
Name:{[4-(1-{3-[(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]propyl}-1H-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid
Formula:C42 H68 N6 O13
SMILES:O=C(O)CNC(=O)CCCc1nnn(c1)CCCN3C(=O)OC4(C(OC(=O)C(C(=O)C(C(OC2OC(C)CC(N(C)C)C2O)C(OC)(C)CC(C(=O)C(C)C34)C)C)C)CC)C
InChi:InChI=1S/C42H68N6O13/c1-12-30-42(8)36(48(40(56)61-42)18-14-17-47-22-28(44-45-47)15-13-16-31(49)43-21-32(50)51)25(4)33(52)23(2)20-41(7,57-11)37(26(5)34(53)27(6)38(55)59-30)60-39-35(54)29(46(9)10)19-24(3)58-39/h22-27,29-30,35-37,39,54H,12-21H2,1-11H3,(H,43,49)(H,50,51)/t23-,24-,25+,26+,27-,29+,30-,35-,36-,37-,39+,41-,42-/m1/s1
Definition date:2014-05-10
Last modified:2023-11-03
Release date:2014-10-01
Identifier:{[4-(1-{3-[(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxododecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]propyl}-1H-1,2,3-triazol-4-yl)butanoyl]amino}acetic acid (non-preferred name)
T1F
T1F
Name:(4R)-1-[1-[(S)-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-N-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide
Formula:C40 H45 N7 O4
SMILES:CN1[CH](CN(C1=O)C2=CC=CN([CH](c3ccc(C)cc3)c4cn(nc4c5ccccc5C)C6CCCC6)C2=O)C(=O)NC78CCC(CC7)NC8=O
InChi:InChI=1S/C40H45N7O4/c1-25-14-16-27(17-15-25)35(31-23-47(29-10-5-6-11-29)43-34(31)30-12-7-4-9-26(30)2)45-22-8-13-32(37(45)49)46-24-33(44(3)39(46)51)36(48)42-40-20-18-28(19-21-40)41-38(40)50/h4,7-9,12-17,22-23,28-29,33,35H,5-6,10-11,18-21,24H2,1-3H3,(H,41,50)(H,42,48)/t28-,33-,35+,40-/m1/s1
Definition date:2023-04-19
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4~{R})-1-[1-[(~{S})-[1-cyclopentyl-3-(2-methylphenyl)pyrazol-4-yl]-(4-methylphenyl)methyl]-2-oxidanylidene-pyridin-3-yl]-3-methyl-2-oxidanylidene-~{N}-(3-oxidanylidene-2-azabicyclo[2.2.2]octan-4-yl)imidazolidine-4-carboxamide
T3
T3
Name:3,5,3'TRIIODOTHYRONINE
Formula:C15 H12 I3 N O4
SMILES:O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2
InChi:InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
Synonyms:T3
Definition date:1999-07-12
Last modified:2023-11-03
Identifier:O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine
T44
T44
Name:3,5,3',5'-TETRAIODO-L-THYRONINE
Formula:C15 H11 I4 N O4
SMILES:O=C(O)C(N)Cc2cc(I)c(Oc1cc(I)c(O)c(I)c1)c(I)c2
InChi:InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine
T69
T69
Name:(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid
Formula:C19 H35 N O4 S
SMILES:CC(=C/C1NC(SC1)C(C)C(O)CC(C)CC(O)C(C)(C)C)C(=O)O
InChi:InChI=1S/C19H35NO4S/c1-11(8-16(22)19(4,5)6)7-15(21)13(3)17-20-14(10-25-17)9-12(2)18(23)24/h9,11,13-17,20-22H,7-8,10H2,1-6H3,(H,23,24)/b12-9+/t11-,13-,14-,15-,16-,17+/m0/s1
Definition date:2022-07-18
Last modified:2023-11-03
Release date:2023-05-24
Identifier:(2E)-3-{(2R,4S)-2-[(2S,3S,5S,7S)-3,7-dihydroxy-5,8,8-trimethylnonan-2-yl]-1,3-thiazolidin-4-yl}-2-methylprop-2-enoic acid
C4G
C4G
Name:N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine
Formula:C9 H21 N5 O2
SMILES:NC(C(O)=O)CCCNC(=N)NCCCN
InChi:InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1
Definition date:2017-09-13
Last modified:2023-11-03
Release date:2017-12-13
Identifier:N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine
C4R
C4R
Name:(R)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium
Formula:C10 H14 N O2 Rh S
SMILES:N[CH](C[SH]1C2[CH]3CC[CH]2C4=C3[Rh+]14)C(O)=O
InChi:InChI=1S/C10H13NO2S.Rh/c11-8(10(12)13)5-14-9-6-1-2-7(9)4-3-6
Synonyms:(bicyclo [2.2.1] hepta-2-ene)-cystein rhodium
Definition date:2008-11-11
Last modified:2023-11-03
C67
C67
Name:N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine
Formula:C9 H18 N4 O4
SMILES:NC(C(=O)O)CCCNC(=N)NCCC(O)=O
InChi:InChI=1S/C9H18N4O4/c10-6(8(16)17)2-1-4-12-9(11)13-5-3-7(14)15/h6H,1-5,10H2,(H,14,15)(H,16,17)(H3,11,12,13)/t6-/m0/s1
Definition date:2017-09-13
Last modified:2023-11-03
Release date:2017-12-13
Identifier:N~5~-[N-(2-carboxyethyl)carbamimidoyl]-L-ornithine
C6D
C6D
Name:N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine
Formula:C9 H20 N4 O3
SMILES:NC(C(=O)O)CCCNC(=N)NCCCO
InChi:InChI=1S/C9H20N4O3/c10-7(8(15)16)3-1-4-12-9(11)13-5-2-6-14/h7,14H,1-6,10H2,(H,15,16)(H3,11,12,13)/t7-/m0/s1
Definition date:2017-09-13
Last modified:2023-11-03
Release date:2017-12-13
Identifier:N~5~-[N-(3-hydroxypropyl)carbamimidoyl]-L-ornithine
TA4
TA4
Name:(S)-2-[4-(AMINOMETHYL)-1H-1,2,3-TRIAZOL-1-YL]-4-METHYLPENTANOIC ACID
Formula:C9 H16 N4 O2
SMILES:O=C(O)C(n1nnc(c1)CN)CC(C)C
InChi:InChI=1S/C9H16N4O2/c1-6(2)3-8(9(14)15)13-5-7(4-10)11-12-13/h5-6,8H,3-4,10H2,1-2H3,(H,14,15)/t8-/m0/s1
Definition date:2004-08-13
Last modified:2023-11-03
Identifier:(2S)-2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]-4-methylpentanoic acid
C99
C99
Name:{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-1-YL}ACETIC ACID
Formula:C8 H13 N3 O6
SMILES:O=C(O)CN1C(=O)C(=O)NC1(O)C(N)C(O)C
InChi:InChI=1S/C8H13N3O6/c1-3(12)5(9)8(17)10-6(15)7(16)11(8)2-4(13)14/h3,5,12,17H,2,9H2,1H3,(H,10,15)(H,13,14)/t3-,5+,8-/m1/s1
Synonyms:CHROMOPHORE (THR-PHE-GLY)
Definition date:2007-03-23
Last modified:2023-11-03
Identifier:{(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4,5-dioxoimidazolidin-1-yl}acetic acid
TCQ
TCQ
Name:(1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium
Formula:C18 H19 N2 O4
SMILES:O=C(O)C(N)CC=3C(=O)C=C(O)C(=[NH+]C2CC2c1ccccc1)C=3
InChi:InChI=1S/C18H18N2O4/c19-13(18(23)24)6-11-7-15(17(22)9-16(11)21)20-14-8-12(14)10-4-2-1-3-5-10/h1-5,7,9,12-14,22H,6,8,19H2,(H,23,24)/p+1/b20-15+/t12-,13+,14+/m1/s1
Definition date:2004-07-27
Last modified:2023-11-03
Identifier:(1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium
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
CCY
CCY
Name:2-(1-AMINO-2-MERCAPTO-ETHYL)-5-(4-HYDROXY-BENZYL)-3-(ETHANOYL)-3,5-DIHYDRO-IMIDAZOL-4-ONE
Formula:C14 H19 N3 O4 S
SMILES:O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)CS
InChi:InChI=1S/C14H19N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-4,10-11,13,16,18,22H,5-7,15H2,(H,19,20)/t10-,11-,13-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:[(2S,4S)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
TFW
TFW
Name:5,6,7-trifluoro-tryptophan
Formula:C11 H9 F3 N2 O2
SMILES:N[CH](Cc1c[nH]c2c(F)c(F)c(F)cc12)C(O)=O
InChi:InChI=1S/C11H9F3N2O2/c12-6-2-5-4(1-7(15)11(17)18)3-16-10(5)9(14)8(6)13/h2-3,7,16H,1,15H2,(H,17,18)/t7-/m0/s1
Synonyms:(2S)-2-azanyl-3-[5,6,7-tris(fluoranyl)-1H-indol-3-yl]propanoic acid
Definition date:2022-02-10
Last modified:2023-11-03
Release date:2022-11-23
Identifier:(2~{S})-2-azanyl-3-[5,6,7-tris(fluoranyl)-1~{H}-indol-3-yl]propanoic acid
CEV
CEV
Name:ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Formula:C11 H20 N2 O3
SMILES:O=C1NCCC1CC(N)CCC(=O)OCC
InChi:InChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1
Definition date:2012-04-05
Last modified:2023-11-03
Identifier:ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
GIC
GIC
Name:N-(2-aminoethyl)-N-(1H-indol-3-ylacetyl)glycine
Formula:C14 H17 N3 O3
SMILES:O=C(O)CN(C(=O)Cc2c1ccccc1nc2)CCN
InChi:InChI=1S/C14H17N3O3/c15-5-6-17(9-14(19)20)13(18)7-10-8-16-12-4-2-1-3-11(10)12/h1-4,8,16H,5-7,9,15H2,(H,19,20)
Definition date:2010-10-14
Last modified:2023-11-03
Identifier:N-(2-aminoethyl)-N-(1H-indol-3-ylacetyl)glycine
TKL
TKL
Name:(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid
Formula:C13 H25 N5 O2
SMILES:O=C(C(n1cc(nn1)C(CCCCN)N)CC(C)C)O
InChi:InChI=1S/C13H25N5O2/c1-9(2)7-12(13(19)20)18-8-11(16-17-18)10(15)5-3-4-6-14/h8-10,12H,3-7,14-15H2,1-2H3,(H,19,20)/t10-,12-/m0/s1
Definition date:2005-07-29
Last modified:2023-11-03
Identifier:(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid
TLX
TLX
Name:N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE
Formula:C13 H27 N3
SMILES:N21CCCC1N(CCC2)CC(N)CC(C)C
InChi:InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(2S)-1-[(8aR)-hexahydropyrrolo[1,2-a]pyrimidin-1(2H)-yl]-4-methylpentan-2-amine

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