CAS RN: 17429-69-5
CAS Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O17
MOLECULAR WEIGHT: 640.54348
SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 151466-23-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H13N4O6P
MOLECULAR WEIGHT: 340.228581
SMILES: C1COCC2=C1N=CC3=N/C(=C\4/C=CON4)/N=C23.OP(=O)(O)O
Structure:
CAS RN: 149625-29-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H42N2O7
MOLECULAR WEIGHT: 638.74928
SMILES: CCCCNC1=CC(=C2C(=CC3=C(C(=O)C(=C4CC(=C5C6=C4C3=C2C1=C6C(=O)C(=C5C(=O)C)OC)C)OC)NCCCC)OC)OC
Structure:
CAS RN: 77094-15-6
CAS Name: 4-methyl-1H-imidazo[4,5-f]quinolin-2-amine
OPENEYE Name: 4-methyl-1H-imidazo[4,5-f]quinolin-2-amine
IUPAC Name: 4-methyl-1H-imidazo[4,5-f]quinolin-2-amine
SYSTEMATIC NAME: 4-methyl-1H-imidazo[4,5-f]quinolin-2-amine
MOLECULAR FORMULA: C11H10N4
MOLECULAR WEIGHT: 198.2239
SMILES: CC1=CC2=C(C=CC=N2)C3=C1N=C(N3)N
Structure:
CAS RN: 76014-27-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12O7
MOLECULAR WEIGHT: 340.28368
SMILES: COC1=C2C(=C3C4C5C(O5)OC4OC3=C1)OC6=C(C2=O)C(=CC=C6)O
Structure:
CAS RN: 75477-68-8
CAS Name: 2-[(3-nitro-2-pyridinyl)thio]-7H-purin-6-amine
OPENEYE Name: 2-[(3-nitro-2-pyridyl)sulfanyl]-7H-purin-6-amine
IUPAC Name: 2-(3-nitropyridin-2-yl)sulfanyl-7H-purin-6-amine
SYSTEMATIC NAME: 2-(3-nitropyridin-2-yl)sulfanyl-7H-purin-6-amine
MOLECULAR FORMULA: C10H7N7O2S
MOLECULAR WEIGHT: 289.27328
SMILES: C1=CC(=C(N=C1)SC2=NC3=C(C(=N2)N)NC=N3)[N+](=O)[O-]
Structure:
CAS RN: 30802-31-4
CAS Name: (2S)-1-[(2S)-2-acetamido-1-oxopropyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-1-[(2S)-2-acetamidopropanoyl]-N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-1-[(2S)-2-acetamidopropanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[(2S)-2-acetamidopropanoyl]-N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C13H22N4O4
MOLECULAR WEIGHT: 298.33818
SMILES: C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)C
Structure:
CAS RN: 75008-01-4
CAS Name: 4-chloro-2-(4-methylphenyl)-1H-imidazo[4,5-c]pyridine
OPENEYE Name: 4-chloro-2-(p-tolyl)-1H-imidazo[4,5-c]pyridine
IUPAC Name: 4-chloro-2-(4-methylphenyl)-1H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 4-chloranyl-2-(4-methylphenyl)-1H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C13H10ClN3
MOLECULAR WEIGHT: 243.6916
SMILES: CC1=CC=C(C=C1)C2=NC3=C(N2)C=CN=C3Cl
Structure:
CAS RN: 75008-00-3
CAS Name: 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine
OPENEYE Name: 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine
IUPAC Name: 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 2-(4-bromophenyl)-4-chloranyl-1H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C12H7BrClN3
MOLECULAR WEIGHT: 308.56108
SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C=CN=C3Cl)Br
Structure:
CAS RN: 75007-99-7
CAS Name: 4-chloro-2-(4-chlorophenyl)-1H-imidazo[4,5-c]pyridine
OPENEYE Name: 4-chloro-2-(4-chlorophenyl)-1H-imidazo[4,5-c]pyridine
IUPAC Name: 4-chloro-2-(4-chlorophenyl)-1H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 4-chloranyl-2-(4-chlorophenyl)-1H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C12H7Cl2N3
MOLECULAR WEIGHT: 264.11008
SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C=CN=C3Cl)Cl
Structure:
CAS RN: 75007-98-6
CAS Name: 4-chloro-2-(3-chlorophenyl)-1H-imidazo[4,5-c]pyridine
OPENEYE Name: 4-chloro-2-(3-chlorophenyl)-1H-imidazo[4,5-c]pyridine
IUPAC Name: 4-chloro-2-(3-chlorophenyl)-1H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 4-chloranyl-2-(3-chlorophenyl)-1H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C12H7Cl2N3
MOLECULAR WEIGHT: 264.11008
SMILES: C1=CC(=CC(=C1)Cl)C2=NC3=C(N2)C=CN=C3Cl
Structure:
CAS RN: 75007-97-5
CAS Name: 4-chloro-2-(2-methylphenyl)-1H-imidazo[4,5-c]pyridine
OPENEYE Name: 4-chloro-2-(o-tolyl)-1H-imidazo[4,5-c]pyridine
IUPAC Name: 4-chloro-2-(2-methylphenyl)-1H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 4-chloranyl-2-(2-methylphenyl)-1H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C13H10ClN3
MOLECULAR WEIGHT: 243.6916
SMILES: CC1=CC=CC=C1C2=NC3=C(N2)C=CN=C3Cl
Structure:
CAS RN: 75007-96-4
CAS Name: 4-chloro-2-phenyl-1H-imidazo[4,5-c]pyridine
OPENEYE Name: 4-chloro-2-phenyl-1H-imidazo[4,5-c]pyridine
IUPAC Name: 4-chloro-2-phenyl-1H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 4-chloranyl-2-phenyl-1H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C12H8ClN3
MOLECULAR WEIGHT: 229.66502
SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C=CN=C3Cl
Structure:
CAS RN: 75007-83-9
CAS Name: 4-chloro-2-(3,5-dinitrophenyl)-1H-imidazo[4,5-c]pyridine
OPENEYE Name: 4-chloro-2-(3,5-dinitrophenyl)-1H-imidazo[4,5-c]pyridine
IUPAC Name: 4-chloro-2-(3,5-dinitrophenyl)-1H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 4-chloranyl-2-(3,5-dinitrophenyl)-1H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C12H6ClN5O4
MOLECULAR WEIGHT: 319.66014
SMILES: C1=CN=C(C2=C1NC(=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl
Structure:
CAS RN: 75007-82-8
CAS Name: 4-chloro-2-(3-nitrophenyl)-1H-imidazo[4,5-c]pyridine
OPENEYE Name: 4-chloro-2-(3-nitrophenyl)-1H-imidazo[4,5-c]pyridine
IUPAC Name: 4-chloro-2-(3-nitrophenyl)-1H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 4-chloranyl-2-(3-nitrophenyl)-1H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C12H7ClN4O2
MOLECULAR WEIGHT: 274.66258
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C=CN=C3Cl
Structure:
CAS RN: 75007-79-3
CAS Name: 2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
OPENEYE Name: 2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
IUPAC Name: 2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
SYSTEMATIC NAME: 2-(4-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
MOLECULAR FORMULA: C12H9N5O2
MOLECULAR WEIGHT: 255.23216
SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C=CC(=N3)N)[N+](=O)[O-]
Structure:
CAS RN: 75007-78-2
CAS Name: 2-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
OPENEYE Name: 2-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
IUPAC Name: 2-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
SYSTEMATIC NAME: 2-(3-nitrophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
MOLECULAR FORMULA: C12H9N5O2
MOLECULAR WEIGHT: 255.23216
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C=CC(=N3)N
Structure:
CAS RN: 74042-93-6
CAS Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-methoxy-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzoxazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-methoxy-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzoxazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-methoxy-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzoxazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-6-methoxy-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-6-methoxy-1,3-benzoxazole iodide
MOLECULAR FORMULA: C23H25IN2O4
MOLECULAR WEIGHT: 520.36007
SMILES: CCN\1C2=C(C=C(C=C2)OC)O/C1=C\C=C\C3=[N+](C4=C(O3)C=C(C=C4)OC)CC.[I-]
Structure:
CAS RN: 73818-18-5
CAS Name: 3-hydrazinyl-5-iodo-2-indolone
OPENEYE Name: 3-hydrazino-5-iodo-indol-2-one
IUPAC Name: 3-hydrazinyl-5-iodoindol-2-one
SYSTEMATIC NAME: 3-diazanyl-5-iodanyl-indol-2-one
MOLECULAR FORMULA: C8H6IN3O
MOLECULAR WEIGHT: 287.05721
SMILES: C1=CC2=NC(=O)C(=C2C=C1I)NN
Structure:
CAS RN: 72979-22-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H8N2O6
MOLECULAR WEIGHT: 300.22312
SMILES: C1=C(C=C2C3=C1N(C(=O)C4=CC(=CC(=C43)N(C2=O)O)O)O)O
Structure:
CAS RN: 72979-15-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H8N2O4
MOLECULAR WEIGHT: 268.22432
SMILES: C1=C(C=C2C3=C1NC(=O)C4=CC(=CC(=C43)NC2=O)O)O
Structure:
CAS RN: 12226-33-4
CAS Name: disodium 5-[[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatophenyl]hydrazo]-6-methylimino-4-oxo-2-naphthalenesulfonate
OPENEYE Name: disodium 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfonato-phenyl]hydrazino]-6-methylimino-4-oxo-naphthalene-2-sulfonate
IUPAC Name: disodium 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]hydrazinyl]-6-methylimino-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium 5-[2-[4-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]hydrazinyl]-6-methylimino-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C20H15BrN4Na2O8S2
MOLECULAR WEIGHT: 629.36864
SMILES: CN=C1C=CC2=CC(=CC(=O)C2=C1NNC3=C(C=C(C=C3)NC(=O)C(=C)Br)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 70210-39-8
CAS Name: disodium 5-[[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatophenyl]hydrazo]-6-methylimino-4-oxo-2-naphthalenesulfonate
OPENEYE Name: disodium 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfonato-phenyl]hydrazino]-6-methylimino-4-oxo-naphthalene-2-sulfonate
IUPAC Name: disodium 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]hydrazinyl]-6-methylimino-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium 5-[2-[4-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]hydrazinyl]-6-methylimino-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C20H15BrN4Na2O8S2
MOLECULAR WEIGHT: 629.36864
SMILES: CN=C1C=CC2=CC(=CC(=O)C2=C1NNC3=C(C=C(C=C3)NC(=O)C(=C)Br)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 29741-10-4
CAS Name: (2S,3S,4S,5R)-6-[[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R)-6-[2-[3,4-bis(oxidanyl)phenyl]-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C21H18O12
MOLECULAR WEIGHT: 462.36042
SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O
Structure:
CAS RN: 29533-13-9
CAS Name: 2-[2-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]benzoic acid
OPENEYE Name: 2-[2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]benzoic acid
IUPAC Name: 2-[2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]benzoic acid
SYSTEMATIC NAME: 2-[2-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]benzoic acid
MOLECULAR FORMULA: C19H14N2O3
MOLECULAR WEIGHT: 318.32606
SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2NN=C3C=CC(=O)C=C3)C(=O)O
Structure:
CAS RN: 27067-62-5
CAS Name: sulfuric acid (1-methyl-9H-pyrido[3,4-b]indol-7-yl) ester
OPENEYE Name: (1-methyl-9H-pyrido[3,4-b]indol-7-yl) hydrogen sulfate
IUPAC Name: (1-methyl-9H-pyrido[3,4-b]indol-7-yl) hydrogen sulfate
SYSTEMATIC NAME: (1-methyl-9H-pyrido[3,4-b]indol-7-yl) hydrogen sulfate
MOLECULAR FORMULA: C12H10N2O4S
MOLECULAR WEIGHT: 278.2838
SMILES: CC1=NC=CC2=C1NC3=C2C=CC(=C3)OS(=O)(=O)O
Structure:
CAS RN: 65658-67-5
CAS Name: 6-ethyl-7-methyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-one
OPENEYE Name: 6-ethyl-7-methyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-one
IUPAC Name: 6-ethyl-7-methyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 6-ethyl-7-methyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C9H13N3O
MOLECULAR WEIGHT: 179.21902
SMILES: CCC1=C(NC2=NCCN2C1=O)C
Structure:
CAS RN: 65658-66-4
CAS Name: 7-phenyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-one
OPENEYE Name: 7-phenyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-one
IUPAC Name: 7-phenyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-phenyl-3,8-dihydro-2H-imidazo[1,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C12H11N3O
MOLECULAR WEIGHT: 213.23524
SMILES: C1CN2C(=O)C=C(NC2=N1)C3=CC=CC=C3
Structure:
CAS RN: 64398-37-4
CAS Name: (2S)-2-[[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-isochromane-7-carbonyl)amino]propanoic acid
IUPAC Name: (2S)-2-[(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[(5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]propanoic acid
MOLECULAR FORMULA: C14H14ClNO5
MOLECULAR WEIGHT: 311.71766
SMILES: CC1CC2=C(C=C(C=C2C(=O)O1)C(=O)N[C@@H](C)C(=O)O)Cl
Structure:
CAS RN: 65154-36-1
CAS Name: 3-[[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S)-4-[[(2S,3R)-2-[[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2-amino-2-carboxyethyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[(3S,4S,5S,6S)-3-[[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)-
OPENEYE Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2-amino-2-carboxy-ethyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[(3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrah
IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2-amino-2-carboxyethyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl
SYSTEMATIC NAME: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S)-4-[[(2S,3R)-3-[(3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-aminocarbonyloxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2-azanyl-3-oxida
MOLECULAR FORMULA: C55H83N16O22S3+
MOLECULAR WEIGHT: 1416.53652
SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)O)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)NC(C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[
Structure:
CAS RN: 24757-60-6
CAS Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R)-6-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C18H18N2O7
MOLECULAR WEIGHT: 374.34472
SMILES: CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
Structure:
CAS RN: 23627-87-4
CAS Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 3-[(3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H20O11
MOLECULAR WEIGHT: 448.3769
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O
Structure:
CAS RN: 62624-79-7
CAS Name: 3-[[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[(2R,3S,4S,5S,6S)-3-[[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl
OPENEYE Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetr
IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-
SYSTEMATIC NAME: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-aminocarbonyloxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[6-azanyl-2-[3-azanyl-1-[[(2S)-2,3-bis(azanyl)
MOLECULAR FORMULA: C55H84N17O21S3+
MOLECULAR WEIGHT: 1415.55176
SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)N
Structure:
CAS RN: 64295-08-5
CAS Name: (2S)-2-[[(2S)-2-amino-4-(ethylthio)-1-oxobutyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-4-ethylsulfanyl-butanoyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-4-ethylsulfanylbutanoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-4-ethylsulfanyl-butanoyl]amino]propanoic acid
MOLECULAR FORMULA: C9H18N2O3S
MOLECULAR WEIGHT: 234.31582
SMILES: CCSCC[C@@H](C(=O)N[C@@H](C)C(=O)O)N
Structure:
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