CAS RN: 84953-77-5
CAS Name: (2R)-2-amino-3-mercaptopropanoic acid; (2S)-N-[(2S)-1-[(2S)-2-[[[(2S)-1-[(2-amino-2-oxo-1-sulfanylideneethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]
OPENEYE Name: (2S)-N-[(1S)-2-[(2S)-2-[[(1S)-1-[(2-amino-2-oxo-ethanethioyl)carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanediamide; (2R)-2-amino-3-sulfanyl-propanoic acid
IUPAC Name: (2S)-N-[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethanethioyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanediamide; (2R)-2-amino-3-sulfanylpropanoic acid
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethanethioyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]butane
MOLECULAR FORMULA: C28H46N12O10S2
MOLECULAR WEIGHT: 774.86924
SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(=S)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCC(=O)N2.C([C@@H](C(=O)O)N)S
Structure:
CAS RN: 84953-76-4
CAS Name: (2S)-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2-amino-2-oxo-1-sulfanylideneethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl
OPENEYE Name: (2S)-N-[(1S)-3-amino-1-[[(1S)-2-[(2S)-2-[[(1S)-1-[(2-amino-2-oxo-ethanethioyl)carbamoyl]-4-guanidino-butyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]pentanediamide; (2R)-2-amino-3-su
IUPAC Name: (2S)-N-[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethanethioyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]pentanediamid
SYSTEMATIC NAME: (2S)-N-[(2S)-4-azanyl-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethanethioyl)amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]-2-
MOLECULAR FORMULA: C37H58N14O11S2
MOLECULAR WEIGHT: 939.07362
SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(=S)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)N.C([C@@H](C(=O)O)N)S
Structure:
CAS RN: 122390-98-1
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 158707-57-4
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 161051-71-4
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 226706-93-0
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 255838-17-6
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 274683-63-5
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 280774-60-9
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 455260-11-4
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 455260-92-1
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 500227-13-4
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 84632-65-5
CAS Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H10Cl2N2O2
MOLECULAR WEIGHT: 357.1902
SMILES: C1=CC(=CC=C1C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Cl)C(=O)N2)Cl
Structure:
CAS RN: 84434-48-0
CAS Name: disodium 4-[5-methyl-4-[(Z)-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate
OPENEYE Name: disodium 4-[5-methyl-4-[(Z)-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate
IUPAC Name: disodium 4-[5-methyl-4-[(Z)-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]methyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 4-[5-methyl-4-[(Z)-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]methyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate
MOLECULAR FORMULA: C21H16N4Na2O8S2
MOLECULAR WEIGHT: 562.48328
SMILES: CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C.[Na+].[Na+]
Structure:
CAS RN: 84083-16-9
CAS Name: 4-[(4-anilinophenyl)hydrazinylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[(4-anilinophenyl)hydrazono]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[(4-anilinophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[(4-phenylazanylphenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H15N3O
MOLECULAR WEIGHT: 289.3312
SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)NN=C3C=CC(=O)C=C3
Structure:
CAS RN: 83972-76-3
CAS Name: [(E)-[1-[[4-[cyclohexyl(oxo)methyl]-1-pyridin-1-iumyl]methoxymethyl]-2-pyridinylidene]methyl]-oxoammonium
OPENEYE Name: [(E)-[1-[[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]methoxymethyl]-2-pyridylidene]methyl]-oxo-ammonium
IUPAC Name: [(E)-[1-[[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium
SYSTEMATIC NAME: [(E)-[1-[(4-cyclohexylcarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxidanylidene-azanium
MOLECULAR FORMULA: C20H25N3O3+2
MOLECULAR WEIGHT: 355.4308
SMILES: C1CCC(CC1)C(=O)C2=CC=[N+](C=C2)COCN\3C=CC=C/C3=C\[NH+]=O
Structure:
CAS RN: 83877-91-2
CAS Name: (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-methyl-1-propanolate; titanium(4+)
OPENEYE Name: (E)-1-ethoxy-3-oxo-but-1-en-1-olate; 2-methylpropan-1-olate; titanium(4+)
IUPAC Name: (E)-1-ethoxy-3-oxobut-1-en-1-olate; 2-methylpropan-1-olate; titanium(4+)
SYSTEMATIC NAME: (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; 2-methylpropan-1-olate; titanium(4+)
MOLECULAR FORMULA: C20H36O8Ti
MOLECULAR WEIGHT: 452.36204
SMILES: CCO/C(=C/C(=O)C)/[O-].CCO/C(=C/C(=O)C)/[O-].CC(C[O-])C.CC(C[O-])C.[Ti+4]
Structure:
CAS RN: 82975-77-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21BrN2O4
MOLECULAR WEIGHT: 421.28504
SMILES: CN1CC[C@]23[C@@H]4[C@H](C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)NC(=O)CBr)O
Structure:
CAS RN: 82658-23-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H23NO9
MOLECULAR WEIGHT: 529.49422
SMILES: CC12CC3=C(C(=C4C(=C3)C=CC5=C4C(=C6C(=C5O)OC7=CC(=C(C=C7C6=O)OC)OC)O)O)C(=O)N1CCO2
Structure:
CAS RN: 82375-28-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22N2O4
MOLECULAR WEIGHT: 342.38898
SMILES: CCC1=N[C@H]2C[C@@]3([C@@H]4C([C@H]1[C@@H]2CO4)O)C5=CC=CC=C5N(C3=O)OC
Structure:
CAS RN: 81771-37-1
CAS Name: 2-[[(2S)-2-[[2-[[[(2S,4R)-1-[[(2S)-1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]-4-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]acetic acid
OPENEYE Name: 2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]-4-hydroxy-pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]acetic acid
IUPAC Name: 2-[[(2S)-2-[[2-[[(2S,4R)-1-[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-2-[2-[[(2S,4R)-1-[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonyl-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanoylamino]propanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C19H30N6O8
MOLECULAR WEIGHT: 470.4769
SMILES: C[C@@H](C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H]2CCCN2C(=O)CN)O
Structure:
CAS RN: 80244-05-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C85H120N2O25
MOLECULAR WEIGHT: 1569.8607
SMILES: CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O.C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O.CC1=C2C(=C(C(=C1C)OC(=O)C)C)CC[C@@](O2)(C)CCC[C@H](
Structure:
CAS RN: 79665-24-0
CAS Name: (4E)-4-[(5-chloro-2-methylphenyl)hydrazinylidene]-N-[4-[[[(4Z)-4-[(5-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-2-naphthalenyl]-oxomethyl]amino]-2,5-dimethylphenyl]-3-oxo-2-naphthalenecarboxamide
OPENEYE Name: (4E)-4-[(5-chloro-2-methyl-phenyl)hydrazono]-N-[4-[[(4Z)-4-[(5-chloro-2-methyl-phenyl)hydrazono]-3-oxo-naphthalene-2-carbonyl]amino]-2,5-dimethyl-phenyl]-3-oxo-naphthalene-2-carboxamide
IUPAC Name: (4E)-4-[(5-chloro-2-methylphenyl)hydrazinylidene]-N-[4-[[(4Z)-4-[(5-chloro-2-methylphenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]-2,5-dimethylphenyl]-3-oxonaphthalene-2-carboxamide
SYSTEMATIC NAME: (4E)-4-[(5-chloranyl-2-methyl-phenyl)hydrazinylidene]-N-[4-[[(4Z)-4-[(5-chloranyl-2-methyl-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalen-2-yl]carbonylamino]-2,5-dimethyl-phenyl]-3-oxidanylidene-naphthalene-2-carboxamide
MOLECULAR FORMULA: C44H34Cl2N6O4
MOLECULAR WEIGHT: 781.68456
SMILES: CC1=C(C=C(C=C1)Cl)N/N=C\2/C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=C(C=C4C)NC(=O)C5=CC6=CC=CC=C6/C(=N\NC7=C(C=CC(=C7)Cl)C)/C5=O)C
Structure:
CAS RN: 78824-30-3
CAS Name: (1S,3E,5R,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-(1-methylethenyl)hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
OPENEYE Name: (1S,3E,5R,7R)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-1-[(2S)-2-isopropenyl-5-methyl-hex-4-enyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
IUPAC Name: (1S,3E,5R,7R)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
SYSTEMATIC NAME: (1S,3E,5R,7R)-3-[[3,4-bis(oxidanyl)phenyl]-oxidanyl-methylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-[(2S)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]bicyclo[3.3.1]nonane-2,4,9-trione
MOLECULAR FORMULA: C38H50O6
MOLECULAR WEIGHT: 602.8
SMILES: CC(=CC[C@@H]1C[C@@]2(C(=O)/C(=C(/C3=CC(=C(C=C3)O)O)\O)/C(=O)[C@@](C2=O)(C1(C)C)CC=C(C)C)C[C@H](CC=C(C)C)C(=C)C)C
Structure:
CAS RN: 65000-34-2
CAS Name: 6-[(2E)-2-[1-oxo-6-[[oxo-[[(6Z)-5-oxo-6-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-2-naphthalenyl]amino]methyl]amino]-2-naphthalenylidene]hydrazinyl]-2-naphthalenesulfonic acid
OPENEYE Name: 6-[(2E)-2-[1-oxo-6-[[(6Z)-5-oxo-6-[(6-sulfo-2-naphthyl)hydrazono]-2-naphthyl]carbamoylamino]-2-naphthylidene]hydrazino]naphthalene-2-sulfonic acid
IUPAC Name: 6-[(2E)-2-[1-oxo-6-[[(6Z)-5-oxo-6-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalen-2-yl]carbamoylamino]naphthalen-2-ylidene]hydrazinyl]naphthalene-2-sulfonic acid
SYSTEMATIC NAME: 6-[(2E)-2-[1-oxidanylidene-6-[[(6Z)-5-oxidanylidene-6-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalen-2-yl]carbamoylamino]naphthalen-2-ylidene]hydrazinyl]naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C41H28N6O9S2
MOLECULAR WEIGHT: 812.82582
SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1N/N=C/3\C=CC4=C(C3=O)C=CC(=C4)NC(=O)NC5=CC6=C(C=C5)C(=O)/C(=N\NC7=CC8=C(C=C7)C=C(C=C8)S(=O)(=O)O)/C=C6
Structure:
CAS RN: 63907-45-9
CAS Name: 4-[2-[(E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoselenazol-3-ium-3-yl]-1-butanesulfonate
OPENEYE Name: 4-[2-[(E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoselenazol-3-ium-3-yl]butane-1-sulfonate
IUPAC Name: 4-[2-[(E)-2-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoselenazol-3-ium-3-yl]butane-1-sulfonate
SYSTEMATIC NAME: 4-[2-[(E)-2-[(Z)-(5-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzoselenazol-3-ium-3-yl]butane-1-sulfonate
MOLECULAR FORMULA: C26H29ClN2O4S2Se
MOLECULAR WEIGHT: 612.06246
SMILES: CC/C(=C\C1=[N+](C2=C([Se]1)C=CC(=C2)OC)CCCCS(=O)(=O)[O-])/C=C\3/N(C4=C(S3)C=CC(=C4)Cl)CC
Structure:
CAS RN: 63870-45-1
CAS Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoxazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]butylidene]-5,6-dimethyl-1,3-benzoxazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoxazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoxazole iodide
MOLECULAR FORMULA: C25H29IN2OS
MOLECULAR WEIGHT: 532.48003
SMILES: CC/C(=C\C1=[N+](C2=CC=CC=C2S1)CC)/C=C\3/N(C4=C(O3)C=C(C(=C4)C)C)CC.[I-]
Structure:
CAS RN: 63870-34-8
CAS Name: disodium 4-[5-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4-pyrazolylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate
OPENEYE Name: disodium 4-[5-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate
IUPAC Name: disodium 4-[5-methyl-4-[(E,3Z)-3-[3-methyl-5-oxo-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 4-[5-methyl-4-[(E,3Z)-3-[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate
MOLECULAR FORMULA: C23H18N4Na2O8S2
MOLECULAR WEIGHT: 588.52056
SMILES: CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])/C=C/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C.[Na+].[Na+]
Structure:
CAS RN: 63870-31-5
CAS Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydrothiazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoxazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydrothiazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoxazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoxazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-5,6-dimethyl-1,3-benzoxazole iodide
MOLECULAR FORMULA: C19H25IN2OS
MOLECULAR WEIGHT: 456.38407
SMILES: CCN\1C2=C(C=C(C(=C2)C)C)O/C1=C\C=C\C3=[N+](CCS3)CC.[I-]
Structure:
CAS RN: 63868-47-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30BrNO
MOLECULAR WEIGHT: 404.3837
SMILES: C=CC[N+]1(CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O)CC=C.[Br-]
Structure:
CAS RN: 63815-64-5
CAS Name: 4-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]-1-butanesulfonate
OPENEYE Name: 4-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylene]butylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]butane-1-sulfonate
IUPAC Name: 4-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]butane-1-sulfonate
SYSTEMATIC NAME: 4-[(2Z)-2-[(2E)-2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]butane-1-sulfonate
MOLECULAR FORMULA: C28H34N2O5S2Se
MOLECULAR WEIGHT: 621.66996
SMILES: CC/C(=C\C1=[N+](C2=C([Se]1)C=CC(=C2)OC)CC)/C=C\3/N(C4=C(S3)C=C(C(=C4)C)OC)CCCCS(=O)(=O)[O-]
Structure:
CAS RN: 63590-19-2
CAS Name: (4Z)-4-[(2-carboxy-6-hydroxyphenyl)-hydroxymethylidene]-3-hydroxy-1-[(3R,4R)-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-2,3,4,5-tetrahydro-1H-azepin-4-yl]-5-oxo-1-cyclohex-2-enecarboxylic acid
OPENEYE Name: (4Z)-4-[(2-carboxy-6-hydroxy-phenyl)-hydroxy-methylene]-3-hydroxy-1-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]-2,3,4,5-tetrahydro-1H-azepin-4-yl]-5-oxo-cyclohex-2-ene-1-carboxylic acid
IUPAC Name: (4Z)-4-[(2-carboxy-6-hydroxyphenyl)-hydroxymethylidene]-3-hydroxy-1-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]-2,3,4,5-tetrahydro-1H-azepin-4-yl]-5-oxocyclohex-2-ene-1-carboxylic acid
SYSTEMATIC NAME: (4Z)-4-[(2-carboxy-6-oxidanyl-phenyl)-oxidanyl-methylidene]-1-[(3R,4R)-3-[(4-hydroxyphenyl)carbonylamino]-2,3,4,5-tetrahydro-1H-azepin-4-yl]-3-oxidanyl-5-oxidanylidene-cyclohex-2-ene-1-carboxylic acid
MOLECULAR FORMULA: C28H26N2O10
MOLECULAR WEIGHT: 550.51344
SMILES: C1C=CNC[C@@H]([C@H]1C2(CC(=O)/C(=C(/C3=C(C=CC=C3O)C(=O)O)\O)/C(=C2)O)C(=O)O)NC(=O)C4=CC=C(C=C4)O
Structure:
CAS RN: 63504-29-0
CAS Name: 8-hydroxy-1,2,3,4,6-pentamethoxy-9-xanthenone
OPENEYE Name: 8-hydroxy-1,2,3,4,6-pentamethoxy-xanthen-9-one
IUPAC Name: 8-hydroxy-1,2,3,4,6-pentamethoxyxanthen-9-one
SYSTEMATIC NAME: 1,2,3,4,6-pentamethoxy-8-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C18H18O8
MOLECULAR WEIGHT: 362.33072
SMILES: COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C(=C3OC)OC)OC)OC)O
Structure:
CAS RN: 63221-68-1
CAS Name: 4-[[(E)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridinylidene]methyl]amino]butanoic acid
OPENEYE Name: 4-[[(E)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino]butanoic acid
IUPAC Name: 4-[[(E)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanoic acid
SYSTEMATIC NAME: 4-[[(E)-[2-methyl-3-oxidanylidene-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanoic acid
MOLECULAR FORMULA: C12H17N2O7P
MOLECULAR WEIGHT: 332.246341
SMILES: CC1=NC=C(/C(=C\NCCCC(=O)O)/C1=O)COP(=O)(O)O
Structure:
CAS RN: 62669-62-9
CAS Name: 4-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(4-methoxy-4-oxobutyl)-2-benzo[f][1,3]benzothiazol-3-iumyl]ethenyl]-2-(N-phenylanilino)-1-cyclopent-2-enylidene]ethylidene]-3-benzo[f][1,3]benzothiazolyl]butanoic acid methyl ester perchlorate
OPENEYE Name: methyl 4-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(4-methoxy-4-oxo-butyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]vinyl]-2-(N-phenylanilino)cyclopent-2-en-1-ylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate perchlorate
IUPAC Name: methyl 4-[(2E)-2-[(2E)-2-[3-[(E)-2-[3-(4-methoxy-4-oxobutyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]-2-(N-phenylanilino)cyclopent-2-en-1-ylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate perchlorate
SYSTEMATIC NAME: methyl 4-[(2E)-2-[(2E)-2-[2-(diphenylamino)-3-[(E)-2-[3-(4-methoxy-4-oxidanylidene-butyl)benzo[f][1,3]benzothiazol-3-ium-2-yl]ethenyl]cyclopent-2-en-1-ylidene]ethylidene]benzo[f][1,3]benzothiazol-3-yl]butanoate perchlorate
MOLECULAR FORMULA: C53H48ClN3O8S2
MOLECULAR WEIGHT: 954.54652
SMILES: COC(=O)CCCN\1C2=CC3=CC=CC=C3C=C2S/C1=C/C=C/4\CCC(=C4N(C5=CC=CC=C5)C6=CC=CC=C6)/C=C/C7=[N+](C8=CC9=CC=CC=C9C=C8S7)CCCC(=O)OC.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 62213-88-1
CAS Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,1
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15
IUPAC Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,
MOLECULAR FORMULA: C43H54N2O14
MOLECULAR WEIGHT: 822.89386
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O.C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O
Structure:
CAS RN: 61444-84-6
CAS Name: oxo-[[1-[[4-(oxoammoniomethylidene)-1-pyridinyl]methyl]-4-pyridinylidene]methyl]ammonium
OPENEYE Name: oxo-[[1-[[4-(oxoammoniomethylene)-1-pyridyl]methyl]-4-pyridylidene]methyl]ammonium
IUPAC Name: oxo-[[1-[[4-(oxoazaniumylmethylidene)pyridin-1-yl]methyl]pyridin-4-ylidene]methyl]azanium
SYSTEMATIC NAME: oxidanylidene-[[1-[[4-(oxidanylideneazaniumylmethylidene)pyridin-1-yl]methyl]pyridin-4-ylidene]methyl]azanium
MOLECULAR FORMULA: C13H14N4O2+2
MOLECULAR WEIGHT: 258.27586
SMILES: C1=CN(C=CC1=C[NH+]=O)CN2C=CC(=C[NH+]=O)C=C2
Structure:
CAS RN: 61043-47-8
CAS Name: 4-[[(2S)-1-[[(2S)-1-[[(2S)-3-methyl-2-(4-nitroanilino)-1-oxobutyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[(1S)-1-methyl-2-[[(1S)-1-methyl-2-[[(2S)-3-methyl-2-(4-nitroanilino)butanoyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[(2S)-1-[[(2S)-1-[[(2S)-3-methyl-2-(4-nitroanilino)butanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(2S)-1-[[(2S)-1-[[(2S)-3-methyl-2-[(4-nitrophenyl)amino]butanoyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C21H29N5O8
MOLECULAR WEIGHT: 479.48366
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)[C@H](C(C)C)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CCC(=O)O
Structure:
CAS RN: 60077-62-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H20O7
MOLECULAR WEIGHT: 408.4007
SMILES: CC(=C)[C@H]1CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(O3)COC5=CC(=C(C=C54)OC)OC
Structure:
CAS RN: 77614-17-6
CAS Name: (2S,4R)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]-4-hydroxy-2-pyrroli
OPENEYE Name: (2S,4R)-N-[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-hydroxy-pyrrolidine-2-carboxam
IUPAC Name: (2S,4R)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S,4R)-1-[(2S)-2-[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-oxidanyl-pyrrolidin
MOLECULAR FORMULA: C40H50N8O11
MOLECULAR WEIGHT: 818.872
SMILES: C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@@H](CO)C(=O)N)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
Structure:
No comments:
Post a Comment