CAS RN: 98565-18-5
CAS Name: (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (6R,7R)-7-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-az
OPENEYE Name: (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (6R,7R)-7-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicycl
IUPAC Name: (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo
SYSTEMATIC NAME: (2S,5R)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (6R,7R)-7-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sul
MOLECULAR FORMULA: C33H38N10O13S3
MOLECULAR WEIGHT: 878.90902
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O.CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C
Structure:
CAS RN: 124989-71-5
CAS Name: (3S,9R,10R)-heptadeca-4,6-diyne-3,9,10-triol
OPENEYE Name: (3S,9R,10R)-heptadeca-4,6-diyne-3,9,10-triol
IUPAC Name: (3S,9R,10R)-heptadeca-4,6-diyne-3,9,10-triol
SYSTEMATIC NAME: (3S,9R,10R)-heptadeca-4,6-diyne-3,9,10-triol
MOLECULAR FORMULA: C17H28O3
MOLECULAR WEIGHT: 280.40242
SMILES: CCCCCCC[C@H]([C@@H](CC#CC#C[C@H](CC)O)O)O
Structure:
CAS RN: 124986-26-1
CAS Name: 4,9-dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxyperylene-3,10-dione
OPENEYE Name: 4,9-dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxy-perylene-3,10-dione
IUPAC Name: 4,9-dihydroxy-6,7-bis(2-hydroxypropyl)-1,5,8,12-tetramethoxyperylene-3,10-dione
SYSTEMATIC NAME: 1,5,8,12-tetramethoxy-4,9-bis(oxidanyl)-6,7-bis(2-oxidanylpropyl)perylene-3,10-dione
MOLECULAR FORMULA: C30H30O10
MOLECULAR WEIGHT: 550.5532
SMILES: CC(CC1=C(C(=C2C(=O)C=C(C3=C4C(=CC(=O)C5=C(C(=C(C(=C45)C1=C32)CC(C)O)OC)O)OC)OC)O)OC)O
Structure:
CAS RN: 124985-64-4
CAS Name: 2-[(3,4-dichlorophenyl)methyl]-5-nitrobenzoic acid
OPENEYE Name: 2-[(3,4-dichlorophenyl)methyl]-5-nitro-benzoic acid
IUPAC Name: 2-[(3,4-dichlorophenyl)methyl]-5-nitrobenzoic acid
SYSTEMATIC NAME: 2-[(3,4-dichlorophenyl)methyl]-5-nitro-benzoic acid
MOLECULAR FORMULA: C14H9Cl2NO4
MOLECULAR WEIGHT: 326.13156
SMILES: C1=CC(=C(C=C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)Cl)Cl
Structure:
CAS RN: 124985-62-2
CAS Name: 4-mercaptobutanimidamide
OPENEYE Name: 4-sulfanylbutanamidine
IUPAC Name: 4-sulfanylbutanimidamide
SYSTEMATIC NAME: 4-sulfanylbutanimidamide
MOLECULAR FORMULA: C4H10N2S
MOLECULAR WEIGHT: 118.2006
SMILES: C(CC(=N)N)CS
Structure:
CAS RN: 124985-61-1
CAS Name: 4-(2-pyridinyldisulfanyl)butanimidamide
OPENEYE Name: 4-(2-pyridyldisulfanyl)butanamidine
IUPAC Name: 4-(pyridin-2-yldisulfanyl)butanimidamide
SYSTEMATIC NAME: 4-(pyridin-2-yldisulfanyl)butanimidamide
MOLECULAR FORMULA: C9H13N3S2
MOLECULAR WEIGHT: 227.34962
SMILES: C1=CC=NC(=C1)SSCCCC(=N)N
Structure:
CAS RN: 124985-60-0
CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(4-aminophenyl)propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-aminophenyl)propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-aminophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-3-(4-aminophenyl)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C18H21N3O4
MOLECULAR WEIGHT: 343.37704
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)N
Structure:
CAS RN: 124985-59-7
CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-[4-(dimethylamino)phenyl]propanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-[4-(dimethylamino)phenyl]propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-[4-(dimethylamino)phenyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-[4-(dimethylamino)phenyl]propanoic acid
MOLECULAR FORMULA: C20H25N3O4
MOLECULAR WEIGHT: 371.4302
SMILES: CN(C)C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 124979-30-2
CAS Name: 1-chloro-3-ethynyl-2,4-dimethoxybenzene
OPENEYE Name: 1-chloro-3-ethynyl-2,4-dimethoxy-benzene
IUPAC Name: 1-chloro-3-ethynyl-2,4-dimethoxybenzene
SYSTEMATIC NAME: 1-chloranyl-3-ethynyl-2,4-dimethoxy-benzene
MOLECULAR FORMULA: C10H9ClO2
MOLECULAR WEIGHT: 196.63026
SMILES: COC1=C(C(=C(C=C1)Cl)OC)C#C
Structure:
CAS RN: 124962-11-4
CAS Name: (7S,8aS,10aR)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
OPENEYE Name: (7S,8aS,10aR)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
IUPAC Name: (7S,8aS,10aR)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
SYSTEMATIC NAME: (7S,8aS,10aR)-3,7-bis(bromanyl)-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
MOLECULAR FORMULA: C16H20Br2O2
MOLECULAR WEIGHT: 404.1368
SMILES: C[C@@]12CC[C@@H](C([C@@H]1CC3=CC(=C(C=C3O2)Br)O)(C)C)Br
Structure:
CAS RN: 124929-08-4
CAS Name: N-[[(2R)-1-[(4-fluorophenyl)methyl]-2-pyrrolidinyl]methyl]-5-iodanyl-2,3-dimethoxybenzamide
OPENEYE Name: N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5-iodanyl-2,3-dimethoxy-benzamide
IUPAC Name: N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5-iodanyl-2,3-dimethoxybenzamide
SYSTEMATIC NAME: N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5-iodanyl-2,3-dimethoxy-benzamide
MOLECULAR FORMULA: C21H24FIN2O3
MOLECULAR WEIGHT: 494.330861
SMILES: COC1=C(C(=CC(=C1)[123I])C(=O)NC[C@H]2CCCN2CC3=CC=C(C=C3)F)OC
Structure:
CAS RN: 124916-54-7
CAS Name: 2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-3H-isoindol-1-one
OPENEYE Name: 2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)chroman-4-yl]isoindolin-1-one
IUPAC Name: 2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one
SYSTEMATIC NAME: 2-[(3S,4R)-2,2-dimethyl-3-oxidanyl-6-(trifluoromethyloxy)-3,4-dihydrochromen-4-yl]-3H-isoindol-1-one
MOLECULAR FORMULA: C20H18F3NO4
MOLECULAR WEIGHT: 393.35643
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)OC(F)(F)F)N3CC4=CC=CC=C4C3=O)O)C
Structure:
CAS RN: 124898-74-4
CAS Name: butanoic acid [(2S,3S,5S,10S,13S,16S,17R)-3-acetyloxy-10,13-dimethyl-16-(1-methyl-1-azepan-1-iumyl)-2-(1-piperidinyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester bromide
OPENEYE Name: [(2S,3S,5S,10S,13S,16S,17R)-3-acetoxy-10,13-dimethyl-16-(1-methylazepan-1-ium-1-yl)-2-(1-piperidyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate bromide
IUPAC Name: [(2S,3S,5S,10S,13S,16S,17R)-3-acetyloxy-10,13-dimethyl-16-(1-methylazepan-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate bromide
SYSTEMATIC NAME: [(2S,3S,5S,10S,13S,16S,17R)-3-acetyloxy-10,13-dimethyl-16-(1-methylazepan-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate bromide
MOLECULAR FORMULA: C37H63BrN2O4
MOLECULAR WEIGHT: 679.81112
SMILES: CCCC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCCC6)C.[Br-]
Structure:
CAS RN: 124884-03-3
CAS Name: 5-[(3aS,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[5-(1,3-dioxolan-2-yl)pentyl]pentanamide
OPENEYE Name: 5-[(3aS,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[5-(1,3-dioxolan-2-yl)pentyl]pentanamide
IUPAC Name: 5-[(3aS,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[5-(1,3-dioxolan-2-yl)pentyl]pentanamide
SYSTEMATIC NAME: 5-[(3aS,4R,6aS)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[5-(1,3-dioxolan-2-yl)pentyl]pentanamide
MOLECULAR FORMULA: C18H31N3O4S
MOLECULAR WEIGHT: 385.52144
SMILES: C1COC(O1)CCCCCNC(=O)CCCC[C@@H]2[C@@H]3[C@@H](CS2)NC(=O)N3
Structure:
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