CAS RN: 744198-16-1
CAS Name: N-[(2S)-1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-1,4-dioxo-4-[(phenylmethyl)amino]butan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-3-(benzylamino)-1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylcarbamoyl]-3-oxo-propyl]carbamate
IUPAC Name: benzyl N-[(2S)-4-(benzylamino)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1,4-dioxobutan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1,4-bis(oxidanylidene)-4-[(phenylmethyl)amino]butan-2-yl]carbamate
MOLECULAR FORMULA: C23H25BrN4O5
MOLECULAR WEIGHT: 517.3724
SMILES: C1C(ON=C1Br)CNC(=O)[C@H](CC(=O)NCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 744198-17-2
CAS Name: N-[(2S)-1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-2-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C23H23BrN4O4
MOLECULAR WEIGHT: 499.35712
SMILES: C1C(ON=C1Br)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 744198-19-4
CAS Name: N-[(2S)-1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-2-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C21H22BrN3O5
MOLECULAR WEIGHT: 476.32048
SMILES: C1C(ON=C1Br)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 744198-09-2
CAS Name: N-[(2S)-1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-1-benzyl-2-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C21H22BrN3O4
MOLECULAR WEIGHT: 460.32108
SMILES: C1C(ON=C1Br)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 117145-99-0
CAS Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azido-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-azanyl-8-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H15N8O13P3
MOLECULAR WEIGHT: 549.193329
SMILES: C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[32P](=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=[N+]=[N-]
Structure:
CAS RN: 29557-51-5
CAS Name: dodecyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: dodecyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: dodecyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: dodecyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C17H38NO4P
MOLECULAR WEIGHT: 351.461681
SMILES: CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
Structure:
CAS RN: 26112-88-9
CAS Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid
OPENEYE Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S,5R,6R)-5-acetamido-2-(4-nitrophenoxy)-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C17H22N2O11
MOLECULAR WEIGHT: 430.36338
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-])O
Structure:
CAS RN: 26112-88-9
CAS Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate
OPENEYE Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
IUPAC Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SYSTEMATIC NAME: (2S,4S,5R,6R)-5-acetamido-2-(4-nitrophenoxy)-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate
MOLECULAR FORMULA: C17H21N2O11-
MOLECULAR WEIGHT: 429.35544
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-])O
Structure:
CAS RN: 745035-16-9
CAS Name: (2R,4S,5R,6R)-5-acetamido-2-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-6-ium-6-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate
OPENEYE Name: (2R,4S,5R,6R)-5-acetamido-2-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-6-ium-6-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
IUPAC Name: (2R,4S,5R,6R)-5-acetamido-2-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-6-ium-6-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-acetamido-2-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-6-ium-6-yl)-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate
MOLECULAR FORMULA: C19H26N2O9
MOLECULAR WEIGHT: 426.41774
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])[N+]2=CC3=C(C=C2)OCCC3)O
Structure:
CAS RN: 300595-03-3
CAS Name: (2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethyl-1-pyridin-1-iumyl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate
OPENEYE Name: (2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
IUPAC Name: (2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate
MOLECULAR FORMULA: C18H26N2O8
MOLECULAR WEIGHT: 398.40764
SMILES: CC1=C(C=[N+](C=C1)[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])C
Structure:
CAS RN: 300595-02-2
CAS Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methyl-1-pyridin-1-iumyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate
OPENEYE Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methylpyridin-1-ium-1-yl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
IUPAC Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methylpyridin-1-ium-1-yl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-acetamido-2-(4-methylpyridin-1-ium-1-yl)-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate
MOLECULAR FORMULA: C17H24N2O8
MOLECULAR WEIGHT: 384.38106
SMILES: CC1=CC=[N+](C=C1)[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-]
Structure:
CAS RN: 300595-01-1
CAS Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(3-methyl-1-pyridin-1-iumyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate
OPENEYE Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(3-methylpyridin-1-ium-1-yl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
IUPAC Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(3-methylpyridin-1-ium-1-yl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-acetamido-2-(3-methylpyridin-1-ium-1-yl)-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate
MOLECULAR FORMULA: C17H24N2O8
MOLECULAR WEIGHT: 384.38106
SMILES: CC1=C[N+](=CC=C1)[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-]
Structure:
CAS RN: 300594-81-4
CAS Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(1-pyridin-1-iumyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate
OPENEYE Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-pyridin-1-ium-1-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
IUPAC Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-pyridin-1-ium-1-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-acetamido-4-oxidanyl-2-pyridin-1-ium-1-yl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate
MOLECULAR FORMULA: C16H22N2O8
MOLECULAR WEIGHT: 370.35448
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])[N+]2=CC=CC=C2)O
Structure:
CAS RN: 847049-30-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23N3O2
MOLECULAR WEIGHT: 325.40482
SMILES: CN1CC2CC3C4=C(CCN3CC2N(C1=O)C)C5=CC=CC=C5O4
Structure:
CAS RN: 797038-06-3
CAS Name: 2-(2-hydroxyphenoxy)-5-propylphenol
OPENEYE Name: 2-(2-hydroxyphenoxy)-5-propyl-phenol
IUPAC Name: 2-(2-hydroxyphenoxy)-5-propylphenol
SYSTEMATIC NAME: 2-(2-oxidanylphenoxy)-5-propyl-phenol
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CCCC1=CC(=C(C=C1)OC2=CC=CC=C2O)O
Structure:
CAS RN: 438543-84-1
CAS Name: 5-ethyl-2-(2-hydroxyphenoxy)phenol
OPENEYE Name: 5-ethyl-2-(2-hydroxyphenoxy)phenol
IUPAC Name: 5-ethyl-2-(2-hydroxyphenoxy)phenol
SYSTEMATIC NAME: 5-ethyl-2-(2-oxidanylphenoxy)phenol
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: CCC1=CC(=C(C=C1)OC2=CC=CC=C2O)O
Structure:
CAS RN: 438543-74-9
CAS Name: 2-(2-hydroxyphenoxy)-5-methylphenol
OPENEYE Name: 2-(2-hydroxyphenoxy)-5-methyl-phenol
IUPAC Name: 2-(2-hydroxyphenoxy)-5-methylphenol
SYSTEMATIC NAME: 5-methyl-2-(2-oxidanylphenoxy)phenol
MOLECULAR FORMULA: C13H12O3
MOLECULAR WEIGHT: 216.23258
SMILES: CC1=CC(=C(C=C1)OC2=CC=CC=C2O)O
Structure:
CAS RN: 80945-46-6
CAS Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodanyl-5-iodophenoxy)-3,5-diiodophenyl]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodanyl-5-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid
IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodanyl-5-iodophenoxy)-3,5-diiodophenyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3,5-bis(iodanyl)phenyl]propanoic acid
MOLECULAR FORMULA: C15H11I4NO4
MOLECULAR WEIGHT: 774.870174
SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)[125I])I)C[C@@H](C(=O)O)N
Structure:
CAS RN: 66091-42-7
CAS Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodanyl-5-iodophenoxy)-3-iodophenyl]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodanyl-5-iodo-phenoxy)-3-iodo-phenyl]propanoic acid
IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodanyl-5-iodophenoxy)-3-iodophenyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[4-[3,5-bis(iodanyl)-4-oxidanyl-phenoxy]-3-iodanyl-phenyl]propanoic acid
MOLECULAR FORMULA: C15H12I3NO4
MOLECULAR WEIGHT: 648.973644
SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)I)OC2=CC(=C(C(=C2)I)O)[125I]
Structure:
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