CAS RN: 75970-99-9
CAS Name: 1-[(4-fluorophenyl)methyl]-N-(4-piperidinyl)-2-benzimidazolamine
OPENEYE Name: 1-[(4-fluorophenyl)methyl]-N-(4-piperidyl)benzimidazol-2-amine
IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
SYSTEMATIC NAME: 1-[(4-fluorophenyl)methyl]-N-piperidin-4-yl-benzimidazol-2-amine
MOLECULAR FORMULA: C19H21FN4
MOLECULAR WEIGHT: 324.395243
SMILES: C1CNCCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F
Structure:
CAS RN: 80036-97-1
CAS Name: 1-[(4-fluorophenyl)methyl]-N-(4-piperidinyl)-2-benzimidazolamine
OPENEYE Name: 1-[(4-fluorophenyl)methyl]-N-(4-piperidyl)benzimidazol-2-amine
IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
SYSTEMATIC NAME: 1-[(4-fluorophenyl)methyl]-N-piperidin-4-yl-benzimidazol-2-amine
MOLECULAR FORMULA: C19H21FN4
MOLECULAR WEIGHT: 324.395243
SMILES: C1CNCCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F
Structure:
CAS RN: 39026-92-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H18N2O5
MOLECULAR WEIGHT: 378.37802
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC=C(C5=C4)OC)O
Structure:
CAS RN: 4093-28-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H18N2O5
MOLECULAR WEIGHT: 378.37802
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC=C(C5=C4)OC)O
Structure:
CAS RN: 131206-45-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H20BrN3O5
MOLECULAR WEIGHT: 498.326
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)CNC(=O)CBr)O
Structure:
CAS RN: 6943-27-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H16N2O5
MOLECULAR WEIGHT: 364.35144
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)NC5=CC(=O)C=CC5=C4)O
Structure:
CAS RN: 169900-78-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H20N2O6
MOLECULAR WEIGHT: 420.4147
SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC6=C(C=C51)OCO6
Structure:
CAS RN: 97387-07-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H15N3O6
MOLECULAR WEIGHT: 393.3496
SMILES: CC[C@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC=C(C5=C4)[N+](=O)[O-])O
Structure:
CAS RN: 114870-03-0
CAS Name: decasodium (2S,3S,4R,5R,6R)-6-[[(2R,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-5-sulfonatooxy-3-oxanyl]oxy]-5-(sulfonatoamino)-4-sulfonatooxy-2-(s
OPENEYE Name: decasodium (2S,3S,4R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfonatooxy-tetrahydropyran-3-yl]oxy-5-(sulfonatoamino)-4
IUPAC Name: decasodium (2S,3S,4R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfon
SYSTEMATIC NAME: decasodium (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfonatoamino)-2-(sulfonatooxymethyl)o
MOLECULAR FORMULA: C31H43N3Na10O49S8
MOLECULAR WEIGHT: 1728.08152
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O[C@@H]3[C@@H]([C@H](C([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(
Structure:
CAS RN: 350014-67-4
CAS Name: decasodium (2S,3S,4R,5R,6R)-6-[[(2R,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-5-sulfonatooxy-3-oxanyl]oxy]-5-(sulfonatoamino)-4-sulfonatooxy-2-(s
OPENEYE Name: decasodium (2S,3S,4R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfonatooxy-tetrahydropyran-3-yl]oxy-5-(sulfonatoamino)-4
IUPAC Name: decasodium (2S,3S,4R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfon
SYSTEMATIC NAME: decasodium (2S,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-bis(oxidanyl)-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-[(2R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-6-[(2R,3S,4R,5R,6S)-6-methoxy-4-oxidanyl-5-(sulfonatoamino)-2-(sulfonatooxymethyl)o
MOLECULAR FORMULA: C31H43N3Na10O49S8
MOLECULAR WEIGHT: 1728.08152
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O[C@@H]3[C@@H]([C@H](C([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(
Structure:
CAS RN: 188627-80-7
CAS Name: 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
OPENEYE Name: 2-[20-carbamoyl-12-(4-guanidinobutyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
IUPAC Name: 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
SYSTEMATIC NAME: 2-[20-aminocarbonyl-12-[4-[bis(azanyl)methylideneamino]butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexakis(oxidanylidene)-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]ethanoic acid
MOLECULAR FORMULA: C35H49N11O9S2
MOLECULAR WEIGHT: 831.96186
SMILES: C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N
Structure:
CAS RN: 148031-34-9
CAS Name: 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
OPENEYE Name: 2-[20-carbamoyl-12-(4-guanidinobutyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
IUPAC Name: 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
SYSTEMATIC NAME: 2-[20-aminocarbonyl-12-[4-[bis(azanyl)methylideneamino]butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexakis(oxidanylidene)-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]ethanoic acid
MOLECULAR FORMULA: C35H49N11O9S2
MOLECULAR WEIGHT: 831.96186
SMILES: C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N
Structure:
CAS RN: 157630-07-4
CAS Name: 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
OPENEYE Name: 2-[20-carbamoyl-12-(4-guanidinobutyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
IUPAC Name: 2-[20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
SYSTEMATIC NAME: 2-[20-aminocarbonyl-12-[4-[bis(azanyl)methylideneamino]butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexakis(oxidanylidene)-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]ethanoic acid
MOLECULAR FORMULA: C35H49N11O9S2
MOLECULAR WEIGHT: 831.96186
SMILES: C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N
Structure:
CAS RN: 5451-09-2
CAS Name: 5-amino-4-oxopentanoic acid hydrochloride
OPENEYE Name: 5-amino-4-oxo-pentanoic acid hydrochloride
IUPAC Name: 5-amino-4-oxopentanoic acid hydrochloride
SYSTEMATIC NAME: 5-azanyl-4-oxidanylidene-pentanoic acid hydrochloride
MOLECULAR FORMULA: C5H10ClNO3
MOLECULAR WEIGHT: 167.5908
SMILES: C(CC(=O)O)C(=O)CN.Cl
Structure:
CAS RN: 181183-52-8
CAS Name: N,N-dimethyl-2-[5-(1-pyrrolidinylsulfonylmethyl)-1H-indol-3-yl]ethanamine; 2-hydroxybutanedioic acid
OPENEYE Name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine; 2-hydroxybutanedioic acid
IUPAC Name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine; 2-hydroxybutanedioic acid
SYSTEMATIC NAME: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine; 2-oxidanylbutanedioic acid
MOLECULAR FORMULA: C21H31N3O7S
MOLECULAR WEIGHT: 469.55174
SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3.C(C(C(=O)O)O)C(=O)O
Structure:
CAS RN: 154323-57-6
CAS Name: N,N-dimethyl-2-[5-(1-pyrrolidinylsulfonylmethyl)-1H-indol-3-yl]ethanamine
OPENEYE Name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
IUPAC Name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
MOLECULAR FORMULA: C17H25N3O2S
MOLECULAR WEIGHT: 335.4643
SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3
Structure:
CAS RN: 124937-52-6
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(1S)-3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenol
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 2-[(1S)-3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-methyl-phenol
MOLECULAR FORMULA: C26H37NO7
MOLECULAR WEIGHT: 475.57448
SMILES: CC1=CC(=C(C=C1)O)[C@@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 107220-28-0
CAS Name: (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] hydrochloride
OPENEYE Name: (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-quinuclidine] hydrochloride
IUPAC Name: (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] hydrochloride
SYSTEMATIC NAME: (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] hydrochloride
MOLECULAR FORMULA: C10H18ClNOS
MOLECULAR WEIGHT: 235.77402
SMILES: C[C@@H]1O[C@]2(CN3CCC2CC3)CS1.Cl
Structure:
CAS RN: 124620-89-9
CAS Name: (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] hydrochloride
OPENEYE Name: (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-quinuclidine] hydrochloride
IUPAC Name: (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] hydrochloride
SYSTEMATIC NAME: (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] hydrochloride
MOLECULAR FORMULA: C10H18ClNOS
MOLECULAR WEIGHT: 235.77402
SMILES: C[C@@H]1O[C@]2(CN3CCC2CC3)CS1.Cl
Structure:
CAS RN: 145108-58-3
CAS Name: 5-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
OPENEYE Name: 5-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
IUPAC Name: 5-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
SYSTEMATIC NAME: 5-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole hydrochloride
MOLECULAR FORMULA: C13H17ClN2
MOLECULAR WEIGHT: 236.74048
SMILES: CC1=C(C(=CC=C1)[C@@H](C)C2=CN=CN2)C.Cl
Structure:
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