CAS RN: 64190-70-1
CAS Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanamide
OPENEYE Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanamide
IUPAC Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide
SYSTEMATIC NAME: N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanamide
MOLECULAR FORMULA: C29H42N8O4S
MOLECULAR WEIGHT: 598.75998
SMILES: CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)N
Structure:
CAS RN: 84313-42-8
CAS Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanamide
OPENEYE Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanamide
IUPAC Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide
SYSTEMATIC NAME: N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanamide
MOLECULAR FORMULA: C29H42N8O4S
MOLECULAR WEIGHT: 598.75998
SMILES: CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)N
Structure:
CAS RN: 84413-35-4
CAS Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanamide
OPENEYE Name: N-(2-amino-1-benzyl-2-oxo-ethyl)-2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanamide
IUPAC Name: N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide
SYSTEMATIC NAME: N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanamide
MOLECULAR FORMULA: C29H42N8O4S
MOLECULAR WEIGHT: 598.75998
SMILES: CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)N
Structure:
CAS RN: 144649-99-0
CAS Name: 5-bromo-2-methoxybenzonitrile
OPENEYE Name: 5-bromo-2-methoxy-benzonitrile
IUPAC Name: 5-bromo-2-methoxybenzonitrile
SYSTEMATIC NAME: 5-bromanyl-2-methoxy-benzenecarbonitrile
MOLECULAR FORMULA: C8H6BrNO
MOLECULAR WEIGHT: 212.04334
SMILES: COC1=C(C=C(C=C1)Br)C#N
Structure:
CAS RN: 24644-78-8
CAS Name: 4-methyl-2,3-dihydroinden-1-one
OPENEYE Name: 4-methylindan-1-one
IUPAC Name: 4-methyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 4-methyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: CC1=CC=CC2=C1CCC2=O
Structure:
CAS RN: 1728-15-0
CAS Name: 10-bromo-1,4-dioxaspiro[4.5]decane
OPENEYE Name: 10-bromo-1,4-dioxaspiro[4.5]decane
IUPAC Name: 10-bromo-1,4-dioxaspiro[4.5]decane
SYSTEMATIC NAME: 10-bromanyl-1,4-dioxaspiro[4.5]decane
MOLECULAR FORMULA: C8H13BrO2
MOLECULAR WEIGHT: 221.09162
SMILES: C1CCC2(C(C1)Br)OCCO2
Structure:
CAS RN: 55788-44-8
CAS Name: 3-bromo-1-propanesulfonate
OPENEYE Name: 3-bromopropane-1-sulfonate
IUPAC Name: 3-bromopropane-1-sulfonate
SYSTEMATIC NAME: 3-bromanylpropane-1-sulfonate
MOLECULAR FORMULA: C3H6BrO3S-
MOLECULAR WEIGHT: 202.04694
SMILES: C(CS(=O)(=O)[O-])CBr
Structure:
CAS RN: 94291-61-9
CAS Name: 4-[6-(4-cyanophenoxy)hexoxy]benzonitrile
OPENEYE Name: 4-[6-(4-cyanophenoxy)hexoxy]benzonitrile
IUPAC Name: 4-[6-(4-cyanophenoxy)hexoxy]benzonitrile
SYSTEMATIC NAME: 4-[6-(4-cyanophenoxy)hexoxy]benzenecarbonitrile
MOLECULAR FORMULA: C20H20N2O2
MOLECULAR WEIGHT: 320.385
SMILES: C1=CC(=CC=C1C#N)OCCCCCCOC2=CC=C(C=C2)C#N
Structure:
CAS RN: 16713-66-9
CAS Name: 2-[1-(carboxylatomethyl)cyclopentyl]acetate
OPENEYE Name: 2-[1-(carboxylatomethyl)cyclopentyl]acetate
IUPAC Name: 2-[1-(carboxylatomethyl)cyclopentyl]acetate
SYSTEMATIC NAME: 2-[1-(2-oxidanidyl-2-oxidanylidene-ethyl)cyclopentyl]ethanoate
MOLECULAR FORMULA: C9H12O4-2
MOLECULAR WEIGHT: 184.18918
SMILES: C1CCC(C1)(CC(=O)[O-])CC(=O)[O-]
Structure:
CAS RN: 405278-58-2
CAS Name: 4-amino-N-(2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
OPENEYE Name: 4-amino-N-isobutyl-1,2,5-oxadiazole-3-carboxamide
IUPAC Name: 4-amino-N-(2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 4-azanyl-N-(2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C7H12N4O2
MOLECULAR WEIGHT: 184.19578
SMILES: CC(C)CNC(=O)C1=NON=C1N
Structure:
CAS RN: 103057-44-9
CAS Name: 3-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-hydroxypyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 3-hydroxypyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-oxidanylpyrrolidine-1-carboxylate
MOLECULAR FORMULA: C9H17NO3
MOLECULAR WEIGHT: 187.23618
SMILES: CC(C)(C)OC(=O)N1CCC(C1)O
Structure:
CAS RN: 71648-20-9
CAS Name: 2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane
OPENEYE Name: 2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane
IUPAC Name: 2,2,6-trichloro-7-oxabicyclo[4.1.0]heptane
SYSTEMATIC NAME: 2,2,6-tris(chloranyl)-7-oxabicyclo[4.1.0]heptane
MOLECULAR FORMULA: C6H7Cl3O
MOLECULAR WEIGHT: 201.47818
SMILES: C1CC2(C(O2)C(C1)(Cl)Cl)Cl
Structure:
CAS RN: 5453-09-8
CAS Name: 8-chloro-2-(methylthio)-3,7-dihydropurine-6-thione
OPENEYE Name: 8-chloro-2-methylsulfanyl-3,7-dihydropurine-6-thione
IUPAC Name: 8-chloro-2-methylsulfanyl-3,7-dihydropurine-6-thione
SYSTEMATIC NAME: 8-chloranyl-2-methylsulfanyl-3,7-dihydropurine-6-thione
MOLECULAR FORMULA: C6H5ClN4S2
MOLECULAR WEIGHT: 232.7137
SMILES: CSC1=NC(=S)C2=C(N1)N=C(N2)Cl
Structure:
CAS RN: 33348-34-4
CAS Name: 4-amino-3-iodobenzonitrile
OPENEYE Name: 4-amino-3-iodo-benzonitrile
IUPAC Name: 4-amino-3-iodobenzonitrile
SYSTEMATIC NAME: 4-azanyl-3-iodanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H5IN2
MOLECULAR WEIGHT: 244.03247
SMILES: C1=CC(=C(C=C1C#N)I)N
Structure:
CAS RN: 5975-07-5
CAS Name: 2-[[5-[3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid
OPENEYE Name: 2-[[4-allyl-5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
IUPAC Name: 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[[5-[3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
MOLECULAR FORMULA: C22H20N4O4S
MOLECULAR WEIGHT: 436.4836
SMILES: C=CCN1C(=NN=C1SCC(=O)O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
Structure:
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