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ODA
ODA
Name:9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID
Formula:C10 H15 N3 O4
SMILES:O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2
InChi:InChI=1S/C10H15N3O4/c11-6-3-4-8(14)12-5-1-2-7(10(16)17)13(12)9(6)15/h6-7H,1-5,11H2,(H,16,17)/t6-,7-/m0/s1
Definition date:1999-10-14
Last modified:2023-11-03
Identifier:(1S,9S)-9-amino-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
ODX
ODX
Name:2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C19 H22 Cl N3 O2
SMILES:O=C(Nc1cnccc1C)Cc1cc(NC2CCCC2O)cc(Cl)c1
InChi:InChI=1S/C19H22ClN3O2/c1-12-5-6-21-11-17(12)23-19(25)9-13-7-14(20)10-15(8-13)22-16-3-2-4-18(16)24/h5-8,10-11,16,18,22,24H,2-4,9H2,1H3,(H,23,25)/t16-,18-/m0/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
A1G
A1G
Name:(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid
Formula:C12 H19 N O2
SMILES:O=C(O)C(C13CC2CC(C1)CC(C2)C3)N
InChi:InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)/t7-,8+,9-,10-,12-/m1/s1
Definition date:2016-04-28
Last modified:2023-11-03
Release date:2017-05-10
Identifier:(2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid
OE6
OE6
Name:N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide
Formula:C14 H11 Cl N4 O
SMILES:Clc1cccc(c1)CC(=O)Nn1nnc2ccccc21
InChi:InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-14(20)17-19-13-7-2-1-6-12(13)16-18-19/h1-8H,9H2,(H,17,20)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide
OEO
OEO
Name:N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide
Formula:C24 H23 N3 O S
SMILES:O=C(Cc1cncc2ccccc21)N(Cc1ccsc1)c1ccc(cc1)N(C)C
InChi:InChI=1S/C24H23N3OS/c1-26(2)21-7-9-22(10-8-21)27(16-18-11-12-29-17-18)24(28)13-20-15-25-14-19-5-3-4-6-23(19)20/h3-12,14-15,17H,13,16H2,1-2H3
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide
A30
A30
Name:O-ethyl-L-tyrosine
Formula:C11 H15 N O3
SMILES:CCOc1ccc(cc1)CC(N)C(=O)O
InChi:InChI=1S/C11H15NO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:2021-11-04
Last modified:2023-11-03
Release date:2022-06-01
Identifier:O-ethyl-L-tyrosine
OFM
OFM
Name:[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:C24 H24 N4 O6
SMILES:O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4
InChi:InChI=1S/C24H24N4O6/c1-14-21(27-24(33,34-14)19(25)12-15-5-3-2-4-6-15)22-26-18(23(32)28(22)13-20(30)31)11-16-7-9-17(29)10-8-16/h2-11,14,19,29,33H,12-13,25H2,1H3,(H,30,31)/b18-11-/t14-,19+,24-/m1/s1
Synonyms:PEPTIDE DERIVED CHROMOPHORE
Definition date:2014-04-30
Last modified:2023-11-03
Release date:2014-07-08
Identifier:[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
OFX
OFX
Name:2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide
Formula:C20 H21 N7 O
SMILES:O=C(Cn1nnc2ccccc21)N(Cc1ccn[NH]1)c1ccc(cc1)N(C)C
InChi:InChI=1S/C20H21N7O/c1-25(2)16-7-9-17(10-8-16)26(13-15-11-12-21-22-15)20(28)14-27-19-6-4-3-5-18(19)23-24-27/h3-12H,13-14H2,1-2H3,(H,21,22)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide
OG9
OG9
Name:(pyren-1-yl)acetic acid
Formula:C18 H12 O2
SMILES:O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34
InChi:InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20)
Definition date:2022-04-29
Last modified:2023-11-03
Release date:2023-05-10
Identifier:(pyren-1-yl)acetic acid
OGF
OGF
Name:2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
Formula:C21 H20 N6 O2 S
SMILES:O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC(=O)NC)cc1
InChi:InChI=1S/C21H20N6O2S/c1-22-21(29)23-16-6-8-17(9-7-16)26(12-15-10-11-30-14-15)20(28)13-27-19-5-3-2-4-18(19)24-25-27/h2-11,14H,12-13H2,1H3,(H2,22,23,29)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
A3U
A3U
Name:4-acetamido-L-phenylalanine
Formula:C11 H14 N2 O3
SMILES:O=C(C)Nc1ccc(cc1)CC(N)C(=O)O
InChi:InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-8(3-5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
Definition date:2021-11-04
Last modified:2023-11-03
Release date:2022-06-01
Identifier:4-acetamido-L-phenylalanine
OGO
OGO
Name:4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
Formula:C20 H18 N2 O4
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CC(Oc2ccccc2OC)C1
InChi:InChI=1S/C20H18N2O4/c1-25-17-8-4-5-9-18(17)26-13-11-22(12-13)20(24)15-10-19(23)21-16-7-3-2-6-14(15)16/h2-10,13H,11-12H2,1H3,(H,21,23)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
OGV
OGV
Name:2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
Formula:C14 H11 Cl N4 O
SMILES:Clc1cccc(c1)CC(=O)Nc1nnc2ccccn21
InChi:InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-13(20)16-14-18-17-12-6-1-2-7-19(12)14/h1-8H,9H2,(H,16,18,20)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
OHC
OHC
Name:2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
Formula:C17 H18 Cl N3 O2
SMILES:O=C(Nc1cnccc1C)Cc1cc(CNC(C)=O)cc(Cl)c1
InChi:InChI=1S/C17H18ClN3O2/c1-11-3-4-19-10-16(11)21-17(23)8-13-5-14(7-15(18)6-13)9-20-12(2)22/h3-7,10H,8-9H2,1-2H3,(H,20,22)(H,21,23)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
OHD
OHD
Name:{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C14 H14 Cl N3 O4
SMILES:NC(C)C1=N/C(C(N1CC(O)=O)=O)=Cc2ccc(c(c2)Cl)O
InChi:InChI=1S/C14H14ClN3O4/c1-7(16)13-17-10(14(22)18(13)6-12(20)21)5-8-2-3-11(19)9(15)4-8/h2-5,7,19H,6,16H2,1H3,(H,20,21)/b10-5-/t7-/m0/s1
Synonyms:PEPTIDE DERIVED CHROMOPHORE
Definition date:2019-06-25
Last modified:2023-11-03
Release date:2019-08-07
Identifier:{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
OI4
OI4
Name:(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C16 H15 Cl N2 O2
SMILES:Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C16H15ClN2O2/c1-10-4-6-18-9-14(10)19-16(20)12-5-7-21-15-3-2-11(17)8-13(12)15/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t12-/m1/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OIE
OIE
Name:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
Formula:C16 H12 Cl N3 O
SMILES:O=C(Cc1cc(Cl)ccn1)Nc1cncc2ccccc21
InChi:InChI=1S/C16H12ClN3O/c17-12-5-6-19-13(7-12)8-16(21)20-15-10-18-9-11-3-1-2-4-14(11)15/h1-7,9-10H,8H2,(H,20,21)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
OIK
OIK
Name:(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
Formula:C20 H19 N3 O
SMILES:O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:InChI=1S/C20H19N3O/c24-20(19-15-21-14-16-6-4-5-9-18(16)19)23-12-10-22(11-13-23)17-7-2-1-3-8-17/h1-9,14-15H,10-13H2
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
OIM
OIM
Name:[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:C21 H26 N4 O6
SMILES:O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)C(C)CC
InChi:InChI=1S/C21H26N4O6/c1-4-11(2)18(22)21(30)24-17(12(3)31-21)19-23-15(20(29)25(19)10-16(27)28)9-13-5-7-14(26)8-6-13/h5-9,11-12,18,26,30H,4,10,22H2,1-3H3,(H,27,28)/b15-9-/t11-,12+,18-,21+/m0/s1
Synonyms:PEPTIDE DERIVED CHROMOPHORE
Definition date:2014-04-30
Last modified:2023-11-03
Release date:2014-07-08
Identifier:[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
A5R
A5R
Name:amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
Formula:C11 H23 N4 O3
SMILES:O=C(CCCCC(=O)O)C(N)CCCNC(=[NH2+])N
InChi:InChI=1S/C11H22N4O3/c12-8(4-3-7-15-11(13)14)9(16)5-1-2-6-10(17)18/h8H,1-7,12H2,(H,17,18)(H4,13,14,15)/p+1/t8-/m0/s1
Definition date:2011-01-28
Last modified:2023-11-03
Identifier:amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
OIX
OIX
Name:N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide
Formula:C19 H18 N2 O3
SMILES:COc1ccccc1OCCNC(=O)c1cncc2ccccc21
InChi:InChI=1S/C19H18N2O3/c1-23-17-8-4-5-9-18(17)24-11-10-21-19(22)16-13-20-12-14-6-2-3-7-15(14)16/h2-9,12-13H,10-11H2,1H3,(H,21,22)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide
OJ9
OJ9
Name:2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide
Formula:C19 H13 Cl N2 O2
SMILES:Clc1cc2ccoc2c(c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H13ClN2O2/c20-15-7-12-5-6-24-19(12)14(8-15)9-18(23)22-17-11-21-10-13-3-1-2-4-16(13)17/h1-8,10-11H,9H2,(H,22,23)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide
OJO
OJO
Name:1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one
Formula:C13 H17 Cl N2 O2
SMILES:CC(=O)N1CCN(Cc2cc(Cl)cc(O)c2)CC1
InChi:InChI=1S/C13H17ClN2O2/c1-10(17)16-4-2-15(3-5-16)9-11-6-12(14)8-13(18)7-11/h6-8,18H,2-5,9H2,1H3
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one
OK9
OK9
Name:N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
Formula:C16 H16 N2 O3 S2
SMILES:O=CC(NC(=O)c1cccs1)=Cc1ccc(s1)N1CCOCC1
InChi:InChI=1S/C16H16N2O3S2/c19-11-12(17-16(20)14-2-1-9-22-14)10-13-3-4-15(23-13)18-5-7-21-8-6-18/h1-4,9-11H,5-8H2,(H,17,20)/b12-10-
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
OKW
OKW
Name:2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide
Formula:C16 H15 Cl N2 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2CCCc21
InChi:InChI=1S/C16H15ClN2O/c17-13-5-1-3-11(7-13)8-16(20)19-15-10-18-9-12-4-2-6-14(12)15/h1,3,5,7,9-10H,2,4,6,8H2,(H,19,20)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide

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