CAS RN: 72156-60-6
CAS Name: 2-[[3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-methylpentanoic acid methyl ester
OPENEYE Name: methyl 2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-pentanoate
IUPAC Name: methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylpentanoate
SYSTEMATIC NAME: methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methyl-pentanoate
MOLECULAR FORMULA: C23H33N3O5
MOLECULAR WEIGHT: 431.52522
SMILES: CCC(C)C(C(=O)OC)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C
Structure:
CAS RN: 72156-59-3
CAS Name: 3-(1H-imidazol-5-yl)-2-[[3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl 2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: methyl 3-(1H-imidazol-5-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
SYSTEMATIC NAME: methyl 3-(1H-imidazol-5-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
MOLECULAR FORMULA: C23H29N5O5
MOLECULAR WEIGHT: 455.50686
SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CN=CN3)C(=O)OC
Structure:
CAS RN: 52894-03-8
CAS Name: N-[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-[[1-(hydrazinecarbonyl)-2-methyl-propyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[1-[(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[1-[(1-diazanyl-3-methyl-1-oxidanylidene-butan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C21H31N5O4
MOLECULAR WEIGHT: 417.50194
SMILES: CC(C)C(C(=O)NN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C
Structure:
CAS RN: 72156-67-3
CAS Name: N-[1-[(1-hydrazinyl-3-mercapto-1-oxopropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-[[2-hydrazino-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[1-[(1-hydrazinyl-1-oxo-3-sulfanylpropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[1-[(1-diazanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C19H27N5O4S
MOLECULAR WEIGHT: 421.51378
SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CS)C(=O)NN
Structure:
CAS RN: 72156-64-0
CAS Name: N-[1-[[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-[[2-hydrazino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[1-[[1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[1-[[1-diazanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C27H32N6O4
MOLECULAR WEIGHT: 504.58078
SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NN
Structure:
CAS RN: 72254-57-0
CAS Name: N-[1-[(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-[[1-(hydrazinecarbonyl)-2-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[1-[(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[1-[(1-diazanyl-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C22H33N5O4
MOLECULAR WEIGHT: 431.52852
SMILES: CCC(C)C(C(=O)NN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C
Structure:
CAS RN: 72254-55-8
CAS Name: 2-[[3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-mercaptopropanoic acid methyl ester
OPENEYE Name: methyl 2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanyl-propanoate
IUPAC Name: methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanylpropanoate
SYSTEMATIC NAME: methyl 2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanyl-propanoate
MOLECULAR FORMULA: C20H27N3O5S
MOLECULAR WEIGHT: 421.51048
SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CS)C(=O)OC
Structure:
CAS RN: 32884-24-5
CAS Name: 4-[(4-methoxy-2-phenylmethoxyphenyl)methylidene]-2-phenyl-5-oxazolone
OPENEYE Name: 4-[(2-benzyloxy-4-methoxy-phenyl)methylene]-2-phenyl-oxazol-5-one
IUPAC Name: 4-[(4-methoxy-2-phenylmethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[(4-methoxy-2-phenylmethoxy-phenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C24H19NO4
MOLECULAR WEIGHT: 385.41196
SMILES: COC1=CC(=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)OCC4=CC=CC=C4
Structure:
CAS RN: 59086-90-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H36O7
MOLECULAR WEIGHT: 556.64544
SMILES: C[C@@H]1C[C@@H]2[C@@H](C2(C)C)C3C=C([C@H]([C@]4(C1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6
Structure:
CAS RN: 59019-15-7
CAS Name: N-[(2-nitrophenyl)methylideneamino]acetamide
OPENEYE Name: N-[(2-nitrophenyl)methyleneamino]acetamide
IUPAC Name: N-[(2-nitrophenyl)methylideneamino]acetamide
SYSTEMATIC NAME: N-[(2-nitrophenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C9H9N3O3
MOLECULAR WEIGHT: 207.18606
SMILES: CC(=O)NN=CC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 30391-66-3
CAS Name: 1,3-dihydroxy-2-(nitrosomethylidene)imidazole
OPENEYE Name: 1,3-dihydroxy-2-(nitrosomethylene)imidazole
IUPAC Name: 1,3-dihydroxy-2-(nitrosomethylidene)imidazole
SYSTEMATIC NAME: 2-(nitrosomethylidene)-1,3-bis(oxidanyl)imidazole
MOLECULAR FORMULA: C4H5N3O3
MOLECULAR WEIGHT: 143.1008
SMILES: C1=CN(C(=CN=O)N1O)O
Structure:
CAS RN: 13289-38-8
CAS Name: 4-(carbamoylamino)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-ureidobenzoate
IUPAC Name: ethyl 4-(carbamoylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(aminocarbonylamino)benzoate
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)N
Structure:
CAS RN: 64157-35-3
CAS Name: N-[4-[4-[bis(2-hydroxyethyl)amino]phenyl]-3-isoquinolinyl]acetamide
OPENEYE Name: N-[4-[4-[bis(2-hydroxyethyl)amino]phenyl]-3-isoquinolyl]acetamide
IUPAC Name: N-[4-[4-[bis(2-hydroxyethyl)amino]phenyl]isoquinolin-3-yl]acetamide
SYSTEMATIC NAME: N-[4-[4-[bis(2-hydroxyethyl)amino]phenyl]isoquinolin-3-yl]ethanamide
MOLECULAR FORMULA: C21H23N3O3
MOLECULAR WEIGHT: 365.42562
SMILES: CC(=O)NC1=C(C2=CC=CC=C2C=N1)C3=CC=C(C=C3)N(CCO)CCO
Structure:
CAS RN: 61766-86-7
CAS Name: N,N-diethyl-4-methyl-5-(methylthio)-1,1-dioxo-1$l^{6},2-benzothiazepin-3-amine
OPENEYE Name: N,N-diethyl-4-methyl-5-methylsulfanyl-1,1-dioxo-1$l^{6},2-benzothiazepin-3-amine
IUPAC Name: N,N-diethyl-4-methyl-5-methylsulfanyl-1,1-dioxo-1$l^{6},2-benzothiazepin-3-amine
SYSTEMATIC NAME: N,N-diethyl-4-methyl-5-methylsulfanyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazepin-3-amine
MOLECULAR FORMULA: C15H20N2O2S2
MOLECULAR WEIGHT: 324.4615
SMILES: CCN(CC)C1=NS(=O)(=O)C2=CC=CC=C2C(=C1C)SC
Structure:
CAS RN: 38275-48-8
CAS Name: 5-bromo-2-methylsulfonylpyrimidine
OPENEYE Name: 5-bromo-2-methylsulfonyl-pyrimidine
IUPAC Name: 5-bromo-2-methylsulfonylpyrimidine
SYSTEMATIC NAME: 5-bromanyl-2-methylsulfonyl-pyrimidine
MOLECULAR FORMULA: C5H5BrN2O2S
MOLECULAR WEIGHT: 237.0744
SMILES: CS(=O)(=O)C1=NC=C(C=N1)Br
Structure:
CAS RN: 62805-40-7
CAS Name: N-[7-chloro-3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-triazolo[4,5-b]pyridinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[7-chloro-3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]triazolo[4,5-b]pyridin-5-yl]carbamate
IUPAC Name: ethyl N-[7-chloro-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazolo[4,5-b]pyridin-5-yl]carbamate
SYSTEMATIC NAME: ethyl N-[7-chloranyl-3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-[1,2,3]triazolo[4,5-b]pyridin-5-yl]carbamate
MOLECULAR FORMULA: C13H16ClN5O6
MOLECULAR WEIGHT: 373.74904
SMILES: CCOC(=O)NC1=NC2=C(C(=C1)Cl)N=NN2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 67505-69-5
CAS Name: 2-[5-amino-7-(methylthio)-3-triazolo[4,5-b]pyridinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(5-amino-7-methylsulfanyl-triazolo[4,5-b]pyridin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(5-amino-7-methylsulfanyltriazolo[4,5-b]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(5-azanyl-7-methylsulfanyl-[1,2,3]triazolo[4,5-b]pyridin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H15N5O4S
MOLECULAR WEIGHT: 313.3329
SMILES: CSC1=CC(=NC2=C1N=NN2C3C(C(C(O3)CO)O)O)N
Structure:
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