CAS RN: 94696-53-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26FNO4
MOLECULAR WEIGHT: 387.444543
SMILES: CC(=O)OC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)[C@@H](CC5)F)O)C=C1
Structure:
CAS RN: 65178-14-5
CAS Name: (Z,3S)-1-diazonio-3-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-4-phenyl-1-buten-2-olate
OPENEYE Name: (Z,3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-1-diazonio-4-phenyl-but-1-en-2-olate
IUPAC Name: (Z,3S)-1-diazonio-4-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-en-2-olate
SYSTEMATIC NAME: (Z,3S)-1-diazonio-4-phenyl-3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-1-en-2-olate
MOLECULAR FORMULA: C27H26N4O4
MOLECULAR WEIGHT: 470.51974
SMILES: C1=CC=C(C=C1)C[C@@H](/C(=C/[N+]#N)/[O-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 94492-35-0
CAS Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(butylthio)propanoic acid
OPENEYE Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-butylsulfanyl-propanoic acid
IUPAC Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-butylsulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-butylsulfanyl-propanoic acid
MOLECULAR FORMULA: C30H41N5O7S
MOLECULAR WEIGHT: 615.74084
SMILES: CCCCSC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 94492-33-8
CAS Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(ethylthio)propanoic acid
OPENEYE Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-ethylsulfanyl-propanoic acid
IUPAC Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-ethylsulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-ethylsulfanyl-propanoic acid
MOLECULAR FORMULA: C28H37N5O7S
MOLECULAR WEIGHT: 587.68768
SMILES: CCSC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 94242-73-6
CAS Name: [(1R)-1-[[[(2S)-1-[(2S)-2-[[2-[(4-methoxy-1,4-dioxobutyl)amino]-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-methylpropyl]boronic acid
OPENEYE Name: [(1R)-1-[[(2S)-1-[(2S)-2-[2-[(4-methoxy-4-oxo-butanoyl)amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-2-methyl-propyl]boronic acid
IUPAC Name: [(1R)-1-[[(2S)-1-[(2S)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropyl]boronic acid
SYSTEMATIC NAME: [(1R)-1-[[(2S)-1-[(2S)-2-[2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]propanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-2-methyl-propyl]boronic acid
MOLECULAR FORMULA: C20H35BN4O8
MOLECULAR WEIGHT: 470.3249
SMILES: B([C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)C(C)NC(=O)CCC(=O)OC)(O)O
Structure:
CAS RN: 93752-78-4
CAS Name: (8Z)-5-hydroxy-8-[hydroxy(methoxy)methylidene]-2-methylpyrano[3,4-g][1]benzopyran-4,6,9-trione
OPENEYE Name: (8Z)-5-hydroxy-8-[hydroxy(methoxy)methylene]-2-methyl-pyrano[3,4-g]chromene-4,6,9-trione
IUPAC Name: (8Z)-5-hydroxy-8-[hydroxy(methoxy)methylidene]-2-methylpyrano[3,4-g]chromene-4,6,9-trione
SYSTEMATIC NAME: (8Z)-8-[methoxy(oxidanyl)methylidene]-2-methyl-5-oxidanyl-pyrano[3,4-g]chromene-4,6,9-trione
MOLECULAR FORMULA: C15H10O8
MOLECULAR WEIGHT: 318.2351
SMILES: CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)O/C(=C(/O)\OC)/C3=O
Structure:
CAS RN: 93739-45-8
CAS Name: (3E)-3-[hydroxy-[(5-hydroxy-2-pyridinyl)amino]methylidene]-2-methyl-1,1-dioxo-4-thieno[2,3-e]thiazinone
OPENEYE Name: (3E)-3-[hydroxy-[(5-hydroxy-2-pyridyl)amino]methylene]-2-methyl-1,1-dioxo-thieno[2,3-e]thiazin-4-one
IUPAC Name: (3E)-3-[hydroxy-[(5-hydroxypyridin-2-yl)amino]methylidene]-2-methyl-1,1-dioxothieno[2,3-e]thiazin-4-one
SYSTEMATIC NAME: (3E)-2-methyl-1,1-bis(oxidanylidene)-3-[oxidanyl-[(5-oxidanylpyridin-2-yl)amino]methylidene]thieno[2,3-e][1,2]thiazin-4-one
MOLECULAR FORMULA: C13H11N3O5S2
MOLECULAR WEIGHT: 353.37354
SMILES: CN1/C(=C(\NC2=NC=C(C=C2)O)/O)/C(=O)C3=C(S1(=O)=O)C=CS3
Structure:
CAS RN: 93729-75-0
CAS Name: N-(2,7-dihydroxy-8-methyl-4-oxo-1-benzopyran-3-yl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(2,7-dihydroxy-8-methyl-4-oxo-chromen-3-yl)carbamate
IUPAC Name: benzyl N-(2,7-dihydroxy-8-methyl-4-oxochromen-3-yl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[8-methyl-2,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]carbamate
MOLECULAR FORMULA: C18H15NO6
MOLECULAR WEIGHT: 341.3148
SMILES: CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)OCC3=CC=CC=C3)O)O
Structure:
CAS RN: 93674-98-7
CAS Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(1R)-1-carboxyethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-oxidanylidene-4-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid
MOLECULAR FORMULA: C15H27N7O7
MOLECULAR WEIGHT: 417.41758
SMILES: C[C@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N
Structure:
CAS RN: 93245-71-7
CAS Name: (3S)-3-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-[[2-[[(1S)-1-carboxyethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[2-[[(1S)-1-carboxyethyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[2-[[(1S)-1-carboxyethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-4-[[2-oxidanylidene-2-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]ethyl]amino]butanoic acid
MOLECULAR FORMULA: C28H40N6O10
MOLECULAR WEIGHT: 620.6514
SMILES: C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](C(C)C)N
Structure:
CAS RN: 63244-88-2
CAS Name: N-[(2S)-1-[[1-[[(2S)-6-amino-1-[(4-methoxy-2-naphthalenyl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-2-[[2-[[(1S)-5-amino-1-[(4-methoxy-2-naphthyl)carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-[[1-[[(2S)-6-amino-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[[1-[[(2S)-6-azanyl-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C31H39N5O6
MOLECULAR WEIGHT: 577.67126
SMILES: C[C@@H](C(=O)NC(C)C(=O)N[C@@H](CCCCN)C(=O)NC1=CC2=CC=CC=C2C(=C1)OC)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 62512-94-1
CAS Name: 2-(1-chloro-2-hydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
OPENEYE Name: 2-(2-chloro-1-hydroxy-1-methyl-ethyl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
IUPAC Name: 2-(1-chloro-2-hydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
SYSTEMATIC NAME: 2-(1-chloranyl-2-oxidanyl-propan-2-yl)-11-methyl-5-oxidanyl-1,2-dihydrofuro[2,3-c]acridin-6-one
MOLECULAR FORMULA: C19H18ClNO4
MOLECULAR WEIGHT: 359.80352
SMILES: CC(CCl)(C1CC2=C3C(=C(C=C2O1)O)C(=O)C4=CC=CC=C4N3C)O
Structure:
CAS RN: 92593-44-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20FNO3
MOLECULAR WEIGHT: 305.344003
SMILES: CN1CC[C@]23[C@@H]4[C@@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)F
Structure:
CAS RN: 61074-06-4
CAS Name: (2R)-2-[(1R)-1-(2-amino-6-oxo-3H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
OPENEYE Name: (2R)-2-[(1R)-1-(2-amino-6-oxo-3H-purin-9-yl)-2-oxo-ethoxy]-3-hydroxy-propanal
IUPAC Name: (2R)-2-[(1R)-1-(2-amino-6-oxo-3H-purin-9-yl)-2-oxoethoxy]-3-hydroxypropanal
SYSTEMATIC NAME: (2R)-2-[(1R)-1-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanyl-propanal
MOLECULAR FORMULA: C10H11N5O5
MOLECULAR WEIGHT: 281.22484
SMILES: C1=NC2=C(N1[C@@H](C=O)O[C@H](CO)C=O)NC(=NC2=O)N
Structure:
CAS RN: 128396-15-6
CAS Name: 7-hydroxy-2-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 7-hydroxy-2-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 7-hydroxy-2-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C16H18O9
MOLECULAR WEIGHT: 354.30872
SMILES: CC1=CC(=O)C2=C(C=C(C=C2O1)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 103847-83-2
CAS Name: 5-methyl-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-[oxo(pyridin-4-yl)methyl]-1H-pyrazol-3-one
OPENEYE Name: 5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-3-one
IUPAC Name: 5-methyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(pyridine-4-carbonyl)-1H-pyrazol-3-one
SYSTEMATIC NAME: 5-methyl-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-2-pyridin-4-ylcarbonyl-1H-pyrazol-3-one
MOLECULAR FORMULA: C17H13N3O3
MOLECULAR WEIGHT: 307.30342
SMILES: CC1=C(C(=O)N(N1)C(=O)C2=CC=NC=C2)C=C3C=CC(=O)C=C3
Structure:
CAS RN: 103719-15-9
CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
OPENEYE Name: (4S)-4-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]propanoyl]amino]-5-(carboxymethylamino)-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]propanoyl]amino]-5-(2-hydroxy-2-oxoethylamino)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C19H26N4O7
MOLECULAR WEIGHT: 422.43234
SMILES: C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)N
Structure:
CAS RN: 92530-58-0
CAS Name: (3R,4S,5R)-2-[6-[[(2R)-1-(4-hydroxy-3-iodophenyl)propan-2-yl]amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (3R,4S,5R)-2-[6-[[(1R)-2-(4-hydroxy-3-iodo-phenyl)-1-methyl-ethyl]amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (3R,4S,5R)-2-[6-[[(2R)-1-(4-hydroxy-3-iodophenyl)propan-2-yl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R)-2-(hydroxymethyl)-5-[6-[[(2R)-1-(3-iodanyl-4-oxidanyl-phenyl)propan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C19H22IN5O5
MOLECULAR WEIGHT: 527.31295
SMILES: C[C@H](CC1=CC(=C(C=C1)O)I)NC2=NC=NC3=C2N=CN3C4[C@@H]([C@@H]([C@H](O4)CO)O)O
Structure:
CAS RN: 92406-14-9
CAS Name: 3-cyclopentyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester
OPENEYE Name: methyl 3-cyclopentyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate
IUPAC Name: methyl 3-cyclopentyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: methyl 3-cyclopentyl-1,6-dimethyl-4-(3-nitrophenyl)-2,4-dihydropyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C21H24N4O4
MOLECULAR WEIGHT: 396.43966
SMILES: CC1=C(C(C2=C(NN(C2=N1)C)C3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 92398-22-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: CN1CC[C@]23[C@@H]4C5(CC[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)O)CC(=C)C(=O)O5
Structure:
CAS RN: 92398-20-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H27NO5
MOLECULAR WEIGHT: 409.47488
SMILES: C=C1CC2(CC[C@]3([C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)O)CCN4CC7CC7)O)OC1=O
Structure:
CAS RN: 92175-45-6
CAS Name: sulfuric acid [4-[(2S)-2-amino-3-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl] ester
OPENEYE Name: [4-[(2S)-2-amino-3-[[(1R)-2-[[2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-3-oxo-propyl]phenyl] hydrogen sulfate
IUPAC Name: [4-[(2S)-2-amino-3-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl] hydrogen sulfate
SYSTEMATIC NAME: [4-[(2S)-2-azanyl-3-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] hydroge
MOLECULAR FORMULA: C28H38N6O9S2
MOLECULAR WEIGHT: 666.76612
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)OS(=O)(=O)O)N
Structure:
CAS RN: 91946-52-0
CAS Name: dimethyl(phenylmethylidene)ammonium; gold(3+); dichloride
OPENEYE Name: dimethyl(phenylmethylene)ammonium; gold(3+); dichloride
IUPAC Name: dimethyl(phenylmethylidene)azanium; gold(3+); dichloride
SYSTEMATIC NAME: dimethyl(phenylmethylidene)azanium; gold(3+); dichloride
MOLECULAR FORMULA: C9H11AuCl2N+
MOLECULAR WEIGHT: 401.06289
SMILES: C[N+](=[C-]C1=CC=CC=C1)C.[Cl-].[Cl-].[Au+3]
Structure:
CAS RN: 91874-98-5
CAS Name: (4Z)-4-(1H-benzo[e][1,3]benzothiazol-2-ylidene)-2-hydroxy-1-cyclohexa-2,5-dienone
OPENEYE Name: (4Z)-4-(1H-benzo[e][1,3]benzothiazol-2-ylidene)-2-hydroxy-cyclohexa-2,5-dien-1-one
IUPAC Name: (4Z)-4-(1H-benzo[e][1,3]benzothiazol-2-ylidene)-2-hydroxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4Z)-4-(1H-benzo[e][1,3]benzothiazol-2-ylidene)-2-oxidanyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C17H11NO2S
MOLECULAR WEIGHT: 293.33974
SMILES: C1=CC=C2C(=C1)C=CC3=C2N/C(=C/4\C=CC(=O)C(=C4)O)/S3
Structure:
CAS RN: 78441-46-0
CAS Name: N3-[2-[[5-[(dimethylamino)methyl]-2-furanyl]methylthio]ethyl]-N4-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
OPENEYE Name: N3-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-N4-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
IUPAC Name: 3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-N-methyl-1-oxo-1,2,5-thiadiazole-3,4-diamine
SYSTEMATIC NAME: N3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N4-methyl-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine
MOLECULAR FORMULA: C13H21N5O2S2
MOLECULAR WEIGHT: 343.46814
SMILES: CNC1=NS(=O)N=C1NCCSCC2=CC=C(O2)CN(C)C
Structure:
CAS RN: 78442-39-4
CAS Name: 1-oxo-N3-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine
OPENEYE Name: 1-oxo-N3-[3-[3-(1-piperidylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine
IUPAC Name: 1-oxo-3-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine
SYSTEMATIC NAME: 1-oxidanylidene-N3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,5-thiadiazole-3,4-diamine
MOLECULAR FORMULA: C17H25N5O2S
MOLECULAR WEIGHT: 363.4777
SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NS(=O)N=C3N
Structure:
CAS RN: 60262-90-0
CAS Name: [(2R)-2-[(1R)-1-(2,4-dioxo-1-pyrimidinyl)-2-oxoethoxy]-3-oxopropyl] phosphono hydrogen phosphate
OPENEYE Name: [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-oxo-ethoxy]-3-oxo-propyl] phosphono hydrogen phosphate
IUPAC Name: [(2R)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-oxoethoxy]-3-oxopropyl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R)-2-[(1R)-1-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C9H12N2O12P2
MOLECULAR WEIGHT: 402.145302
SMILES: C1=CN(C(=O)NC1=O)[C@@H](C=O)O[C@H](COP(=O)(O)OP(=O)(O)O)C=O
Structure:
CAS RN: 91670-99-4
CAS Name: 4-amino-5-hydroxy-3H-1-benzopyran-2,7-dione
OPENEYE Name: 4-amino-5-hydroxy-3H-chromene-2,7-dione
IUPAC Name: 4-amino-5-hydroxy-3H-chromene-2,7-dione
SYSTEMATIC NAME: 4-azanyl-5-oxidanyl-3H-chromene-2,7-dione
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1C(=C2C(=CC(=O)C=C2OC1=O)O)N
Structure:
CAS RN: 91409-49-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H27BrN2O4
MOLECULAR WEIGHT: 463.36478
SMILES: C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1NC(=O)CBr)OC5=C(C=C4)O)O
Structure:
CAS RN: 91265-68-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H21NO3
MOLECULAR WEIGHT: 323.38564
SMILES: C1CC1CN2CC[C@]34[C@@H]5[C@H]2CC6=C3C(=C(C=C6)O)O[C@H]4C(=O)C=C5
Structure:
CAS RN: 94129-60-9
CAS Name: 7-(hydroxyamino)quinoline-5,8-dione
OPENEYE Name: 7-(hydroxyamino)quinoline-5,8-dione
IUPAC Name: 7-(hydroxyamino)quinoline-5,8-dione
SYSTEMATIC NAME: 7-(oxidanylamino)quinoline-5,8-dione
MOLECULAR FORMULA: C9H6N2O3
MOLECULAR WEIGHT: 190.15554
SMILES: C1=CC2=C(C(=O)C(=CC2=O)NO)N=C1
Structure:
CAS RN: 127983-95-3
CAS Name: 2-(2-phenylethenyl)benzo[h]quinoline
OPENEYE Name: 2-(2-phenylvinyl)benzo[h]quinoline
IUPAC Name: 2-(2-phenylethenyl)benzo[h]quinoline
SYSTEMATIC NAME: 2-(2-phenylethenyl)benzo[h]quinoline
MOLECULAR FORMULA: C21H14N-
MOLECULAR WEIGHT: 280.34256
SMILES: C1=CC=C(C=C1)C=[C-]C2=NC3=C(C=CC4=CC=CC=C43)C=C2
Structure:
CAS RN: 127191-86-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H22N6O7
MOLECULAR WEIGHT: 542.49958
SMILES: COC1=CC=CC2=C3C4=C(C(=C21)NC5=NC=NC6=C5N=CN6C7CC(C(O7)CO)O)NC(=O)C4=CC8=C3OCO8
Structure:
CAS RN: 127191-85-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H22N6O8
MOLECULAR WEIGHT: 558.49898
SMILES: COC1=CC=CC2=C3C4=C(C(=C21)NC5=NC(=O)C6=C(N5)N(C=N6)C7C[C@@H]([C@H](O7)CO)O)NC(=O)C4=CC8=C3OCO8
Structure:
CAS RN: 126824-07-5
CAS Name: 4-[6-[5-(4-methyl-1-piperazinyl)-1H-imidazo[4,5-b]pyridin-2-yl]-3H-1,3-benzoxazol-2-ylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C24H22N6O2
MOLECULAR WEIGHT: 426.47048
SMILES: CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)O5
Structure:
CAS RN: 126898-32-6
CAS Name: 4-[6-[5-(4-methyl-1-piperazinyl)-1H-imidazo[4,5-b]pyridin-2-yl]-3H-1,3-benzoxazol-2-ylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C24H22N6O2
MOLECULAR WEIGHT: 426.47048
SMILES: CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)O5
Structure:
No comments:
Post a Comment