CAS RN: 131167-65-2
CAS Name: (3S)-4-[[(2S)-1-[[(2S)-2-[[1,2-dioxo-3-[[(1S)-1-[[(2S)-1-oxo-2-(1-oxopropylamino)-3-(4-sulfooxyphenyl)propyl]amino]pentyl]amino]propyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-(methylamino)-1-oxohexyl]amino]-
OPENEYE Name: (3S)-4-[[(1S)-1-benzyl-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-oxo-3-[[(1S)-1-[[(2S)-2-(propanoylamino)-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]propanoyl]amino]propanoyl]amino]-2-oxo-ethyl]amino]-3-[[(2S)-2-(methylamino)hexanoyl]amino]-4-oxo-butanoic ac
IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[[2-oxo-3-[[(1S)-1-[[(2S)-2-(propanoylamino)-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-(methylamino)hexanoyl]amino]-4-oxobutanoi
SYSTEMATIC NAME: (3S)-4-[[(2S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[[2-oxidanylidene-3-[[(1S)-1-[[(2S)-2-(propanoylamino)-3-(4-sulfooxyphenyl)propanoyl]amino]pentyl]amino]propanoyl]amino]propanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-[[(2S)-2-(methylamino)hexanoy
MOLECULAR FORMULA: C51H67N9O14S
MOLECULAR WEIGHT: 1062.19458
SMILES: CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C(=O)CN[C@H](CCCC)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)CC)NC
Structure:
CAS RN: 129722-89-0
CAS Name: 1,6-dihydroxy-3,5-dimethoxy-2-[1-(7-methoxy-2-oxo-1-benzopyran-6-yl)-3-methylbut-2-enyl]-10-methyl-9-acridinone
OPENEYE Name: 1,6-dihydroxy-3,5-dimethoxy-2-[1-(7-methoxy-2-oxo-chromen-6-yl)-3-methyl-but-2-enyl]-10-methyl-acridin-9-one
IUPAC Name: 1,6-dihydroxy-3,5-dimethoxy-2-[1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-enyl]-10-methylacridin-9-one
SYSTEMATIC NAME: 3,5-dimethoxy-2-[1-(7-methoxy-2-oxidanylidene-chromen-6-yl)-3-methyl-but-2-enyl]-10-methyl-1,6-bis(oxidanyl)acridin-9-one
MOLECULAR FORMULA: C31H29NO8
MOLECULAR WEIGHT: 543.56386
SMILES: CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=C(C=C5)O)OC)OC)C
Structure:
CAS RN: 128741-20-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H54N2O4
MOLECULAR WEIGHT: 578.82496
SMILES: C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4C(=CC[C@@H]([C@@]4(C)CO)N(C)C(=O)C5=CC=CC=C5)C3)C)C)OC(=O)C)N(C)C
Structure:
CAS RN: 127731-62-8
CAS Name: 7-chloro-1-hydroxy-9-xanthenone
OPENEYE Name: 7-chloro-1-hydroxy-xanthen-9-one
IUPAC Name: 7-chloro-1-hydroxyxanthen-9-one
SYSTEMATIC NAME: 7-chloranyl-1-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C13H7ClO3
MOLECULAR WEIGHT: 246.64588
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3)Cl
Structure:
CAS RN: 127322-13-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H27NO
MOLECULAR WEIGHT: 309.44518
SMILES: C1CC(C1)CN2CC[C@]34CC(=O)CC[C@H]3[C@H]2CC5=CC=CC=C45
Structure:
CAS RN: 127266-93-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H32N4O3
MOLECULAR WEIGHT: 532.63218
SMILES: CCC1=C2C=C3C(=C4C(=N3)C5=C6C(CCC(=O)C5(C4=O)O)C(C(=N6)C=C7C(=C(C(=CC(=C1C)N2)N7)C=C)C)C)C
Structure:
CAS RN: 126005-95-6
CAS Name: (2S,3S,4S,5R,6S)-6-[[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid methyl ester
OPENEYE Name: methyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
IUPAC Name: methyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
SYSTEMATIC NAME: methyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate
MOLECULAR FORMULA: C24H24O12
MOLECULAR WEIGHT: 504.44016
SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O)O)OC
Structure:
CAS RN: 52222-74-9
CAS Name: 3,5,7-trihydroxy-2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one
OPENEYE Name: 3,5,7-trihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
IUPAC Name: 3,5,7-trihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
SYSTEMATIC NAME: 2-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-3,5,7-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H20O11
MOLECULAR WEIGHT: 448.3769
SMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 51091-84-0
CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoyl chloride
OPENEYE Name: (2S)-2-(6-methoxy-2-naphthyl)propanoyl chloride
IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoyl chloride
SYSTEMATIC NAME: (2S)-2-(6-methoxynaphthalen-2-yl)propanoyl chloride
MOLECULAR FORMULA: C14H13ClO2
MOLECULAR WEIGHT: 248.70482
SMILES: C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)Cl
Structure:
CAS RN: 51065-90-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20NO6P
MOLECULAR WEIGHT: 365.317561
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OP(=O)(O)O)O[C@H]3[C@H](C=C4)O
Structure:
CAS RN: 72785-19-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H19NO4
MOLECULAR WEIGHT: 313.34776
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)C6C4O6
Structure:
CAS RN: 153567-07-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H29NO4
MOLECULAR WEIGHT: 443.53416
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)C6(CC7=CC=CC=C7C6)C[C@]3([C@H]2CC8=C4C(=C(C=C8)O)O5)O
Structure:
CAS RN: 53409-57-7
CAS Name: (E)-bis(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-1-ium-1-yl)diazene; methanesulfonate
OPENEYE Name: (E)-bis(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-1-ium-1-yl)diazene; methanesulfonate
IUPAC Name: (E)-bis(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-1-ium-1-yl)diazene; methanesulfonate
SYSTEMATIC NAME: (E)-bis(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-1-ium-1-yl)diazene; methanesulfonate
MOLECULAR FORMULA: C30H34N6O6S2
MOLECULAR WEIGHT: 638.75756
SMILES: CN1C([NH+](C2=CC=CC=C21)/N=N/[NH+]3C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C6=CC=CC=C6.CS(=O)(=O)[O-].CS(=O)(=O)[O-]
Structure:
CAS RN: 96725-29-0
CAS Name: 2,2,6-trimethyl-4,7-dihydro-3H-indolo[2,3-c]quinolin-1-one
OPENEYE Name: 2,2,6-trimethyl-4,7-dihydro-3H-indolo[2,3-c]quinolin-1-one
IUPAC Name: 2,2,6-trimethyl-4,7-dihydro-3H-indolo[2,3-c]quinolin-1-one
SYSTEMATIC NAME: 2,2,6-trimethyl-4,7-dihydro-3H-indolo[2,3-c]quinolin-1-one
MOLECULAR FORMULA: C18H18N2O
MOLECULAR WEIGHT: 278.34832
SMILES: CC1=C2C(=C3C(=N1)CCC(C3=O)(C)C)C4=CC=CC=C4N2
Structure:
CAS RN: 65774-67-6
CAS Name: 10H-phenothiazin-3-yliminourea
OPENEYE Name: 10H-phenothiazin-3-yliminourea
IUPAC Name: 10H-phenothiazin-3-yliminourea
SYSTEMATIC NAME: 1-(10H-phenothiazin-3-ylimino)urea
MOLECULAR FORMULA: C13H10N4OS
MOLECULAR WEIGHT: 270.3097
SMILES: C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)N=NC(=O)N
Structure:
CAS RN: 65763-00-0
CAS Name: 7-hydroxy-8-iodo-1-benzopyran-2-one
OPENEYE Name: 7-hydroxy-8-iodo-chromen-2-one
IUPAC Name: 7-hydroxy-8-iodochromen-2-one
SYSTEMATIC NAME: 8-iodanyl-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C9H5IO3
MOLECULAR WEIGHT: 288.03867
SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)I)O
Structure:
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