CAS RN: 29477-90-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H34N2O7
MOLECULAR WEIGHT: 606.66436
SMILES: CN1CC[C@@]23[C@H]4[C@@H]1CC5=C2C(=C(C=C5)OC)O[C@@H]3[C@]6(C4)C(=O)C7=C8N6CCC9=C8C(=C(C=C9)OC)OC1=C7C=CC(=C1O)OC
Structure:
CAS RN: 4984-99-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: CN1CC[C@]23C=C(C(=O)C=C2[C@H]1CC4=CC5=C(C=C34)OCO5)OC
Structure:
CAS RN: 509-15-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: CN1C[C@@]2([C@@H]3[C@H]1[C@@H]4C2C[C@H]([C@@]35C6=CC=CC=C6NC5=O)OC4)C=C
Structure:
CAS RN: 6887-28-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26N2O4
MOLECULAR WEIGHT: 358.43144
SMILES: CC[C@@H]1[C@@H]2C[C@@H]3[C@]4(C[C@@H]([C@H]2CO3)N1)C5=C(C=C(C=C5)OC)N(C4=O)OC
Structure:
CAS RN: 66302-50-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22O7
MOLECULAR WEIGHT: 374.38448
SMILES: C=C1C[C@@H]2[C@]34CO[C@@H]([C@]1([C@H]3C[C@@H](C=C4C(=O)O2)O)C[C@@H](C5=COC=C5)O)O
Structure:
CAS RN: 31230-09-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H48N4O5
MOLECULAR WEIGHT: 688.85432
SMILES: COC1=CC=CC2=C1N[C@]34[C@@]25CCN6[C@H]3[C@]7(CCO[C@H]7CC6)C[C@H]4C[C@]58CN9CC[C@@]12[C@@H]9[C@@]3([C@H]8OCC3)CC(=C1NC1=CC=CC=C21)C(=O)OC
Structure:
CAS RN: 16049-28-8
CAS Name: (2R)-2-[(2S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-buten-1-ol
OPENEYE Name: (2R)-2-[(2S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol
IUPAC Name: (2R)-2-[(2S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol
SYSTEMATIC NAME: (2R)-2-[(2S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]but-3-en-1-ol
MOLECULAR FORMULA: C19H24N2O
MOLECULAR WEIGHT: 296.40666
SMILES: C=C[C@@H](CO)[C@H]1CCN2CCC3=C([C@@H]2C1)NC4=CC=CC=C34
Structure:
CAS RN: 105608-32-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H32O8
MOLECULAR WEIGHT: 472.52748
SMILES: C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@@]56[C@@]3([C@H]7C[C@@H](C5)OC(O7)(O6)C)C=O)O
Structure:
CAS RN: 77182-69-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H46O13
MOLECULAR WEIGHT: 674.73194
SMILES: CC[C@@H](C)C(=O)OC1[C@@]2([C@@H]3C[C@H]([C@@]4([C@@H]([C@@]3(CO1)[C@H]([C@H]([C@H]2OC(=O)C)OC(=O)C)O)C(=O)[C@H]([C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)O)C)O)C
Structure:
CAS RN: 71590-47-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H36O10
MOLECULAR WEIGHT: 532.57944
SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@]23COC([C@@]1([C@@H]2C[C@H]([C@@]4([C@@H]3C(=O)[C@@H]([C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)O)C)O)C)O)O
Structure:
CAS RN: 81967-88-6
CAS Name: (2R)-2-[(2S,5S)-5-ethenyl-5-methyl-2-oxolanyl]propanal
OPENEYE Name: (2R)-2-[(2S,5S)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]propanal
IUPAC Name: (2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propanal
SYSTEMATIC NAME: (2R)-2-[(2S,5S)-5-ethenyl-5-methyl-oxolan-2-yl]propanal
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: C[C@@H](C=O)[C@@H]1CC[C@@](O1)(C)C=C
Structure:
CAS RN: 157810-81-6
CAS Name: (2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-(3-pyridinylmethyl)-2-piperazinecarboxamide; sulfuric acid
OPENEYE Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-4-(3-pyridylmethyl)piperazine-2-carboxamide; sulfuric acid
IUPAC Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide; sulfuric acid
SYSTEMATIC NAME: (2S)-N-tert-butyl-1-[(2S,4R)-2-oxidanyl-5-[[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide; sulfuric acid
MOLECULAR FORMULA: C36H49N5O8S
MOLECULAR WEIGHT: 711.86796
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5.OS(=O)(=O)O
Structure:
CAS RN: 6700-34-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H28BrNO2
MOLECULAR WEIGHT: 370.32442
SMILES: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC.O.Br
Structure:
CAS RN: 124-90-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22ClNO4
MOLECULAR WEIGHT: 351.82458
SMILES: CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.Cl
Structure:
CAS RN: 5985-38-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H33NO9
MOLECULAR WEIGHT: 443.48802
SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O.O
Structure:
CAS RN: 5985-51-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H33NO9
MOLECULAR WEIGHT: 443.48802
SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O.O
Structure:
CAS RN: 6700-40-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H33NO9
MOLECULAR WEIGHT: 443.48802
SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O.O
Structure:
CAS RN: 71-68-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20ClNO3
MOLECULAR WEIGHT: 321.7986
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(=O)CC4.Cl
Structure:
CAS RN: 58786-99-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H35NO8
MOLECULAR WEIGHT: 477.5473
SMILES: C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 126222-34-2
CAS Name: (2R)-2-(tert-butylsulfonylmethyl)-N-[(2S)-1-[[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-phenylpropanamide
OPENEYE Name: (2R)-2-benzyl-3-tert-butylsulfonyl-N-[(1S)-2-[[(1R,2S,3R)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxy-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]propanamide
IUPAC Name: (2R)-2-benzyl-3-tert-butylsulfonyl-N-[(2S)-1-[[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]propanamide
SYSTEMATIC NAME: (2R)-2-(tert-butylsulfonylmethyl)-N-[(2S)-1-[[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-bis(oxidanyl)butan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide
MOLECULAR FORMULA: C33H50N4O6S
MOLECULAR WEIGHT: 630.8383
SMILES: CC(C)(C)S(=O)(=O)C[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@H](CC3CCCCC3)[C@@H]([C@@H](C4CC4)O)O
Structure:
CAS RN: 135669-48-6
CAS Name: (2R)-2-(tert-butylsulfonylmethyl)-N-[(2S)-1-[[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-phenylpropanamide
OPENEYE Name: (2R)-2-benzyl-3-tert-butylsulfonyl-N-[(1S)-2-[[(1R,2S,3R)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxy-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]propanamide
IUPAC Name: (2R)-2-benzyl-3-tert-butylsulfonyl-N-[(2S)-1-[[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]propanamide
SYSTEMATIC NAME: (2R)-2-(tert-butylsulfonylmethyl)-N-[(2S)-1-[[(2R,3S,4R)-1-cyclohexyl-4-cyclopropyl-3,4-bis(oxidanyl)butan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]-3-phenyl-propanamide
MOLECULAR FORMULA: C33H50N4O6S
MOLECULAR WEIGHT: 630.8383
SMILES: CC(C)(C)S(=O)(=O)C[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@H](CC3CCCCC3)[C@@H]([C@@H](C4CC4)O)O
Structure:
CAS RN: 88217-23-6
CAS Name: (2Z,4R,5S)-N-[3-[3-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]propyl-[[(2Z,4S,5R)-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-4-oxazolidinyl]-oxomethyl]amino]propyl]-2-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-5-methyl-4-oxazolidinecarboxami
OPENEYE Name: (2Z,4R,5S)-N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(2Z,4S,5R)-2-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-methyl-oxazolidine-4-carbonyl]amino]propyl]-2-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-5-methyl-oxazolidine-4-carboxamide
IUPAC Name: (2Z,4R,5S)-N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(2Z,4S,5R)-2-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-methyl-1,3-oxazolidine-4-carbonyl]amino]propyl]-2-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5-methyl-1,3-oxazolidine-4-carboxamide
SYSTEMATIC NAME: (2Z,4R,5S)-N-[3-[3-[[2,3-bis(oxidanyl)phenyl]carbonylamino]propyl-[[(2Z,4S,5R)-5-methyl-2-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,3-oxazolidin-4-yl]carbonyl]amino]propyl]-5-methyl-2-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylid
MOLECULAR FORMULA: C35H39N5O11
MOLECULAR WEIGHT: 705.71106
SMILES: C[C@H]1[C@@H](N/C(=C/2\C=CC=C(C2=O)O)/O1)C(=O)NCCCN(CCCNC(=O)C3=C(C(=CC=C3)O)O)C(=O)[C@@H]4[C@H](O/C(=C\5/C=CC=C(C5=O)O)/N4)C
Structure:
CAS RN: 561-27-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C
Structure:
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