CAS RN: 101623-06-7
CAS Name: sodium 6-[hydroxy-[(5-methyl-3-isoxazolyl)amino]methylidene]-2,2,4,4-tetrakis(prop-2-enyl)cyclohexane-1,3,5-trione
OPENEYE Name: sodium 2,2,4,4-tetraallyl-6-[hydroxy-[(5-methylisoxazol-3-yl)amino]methylene]cyclohexane-1,3,5-trione
IUPAC Name: sodium 6-[hydroxy-[(5-methyl-1,2-oxazol-3-yl)amino]methylidene]-2,2,4,4-tetrakis(prop-2-enyl)cyclohexane-1,3,5-trione
SYSTEMATIC NAME: sodium 6-[[(5-methyl-1,2-oxazol-3-yl)amino]-oxidanyl-methylidene]-2,2,4,4-tetrakis(prop-2-enyl)cyclohexane-1,3,5-trione
MOLECULAR FORMULA: C23H26N2NaO5+
MOLECULAR WEIGHT: 433.45271
SMILES: CC1=CC(=NO1)NC(=C2C(=O)C(C(=O)C(C2=O)(CC=C)CC=C)(CC=C)CC=C)O.[Na+]
Structure:
CAS RN: 101621-29-8
CAS Name: 2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(3S,7S,8R,9S)-7-hydroxy-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-2-oxanyl]-3-[[(2S,5S,6R)-5-methoxy-6-methyl-2-oxanyl]oxy]-2-oxolanyl]-5-methyl-2-oxolanyl]-3,8-dimethyl-4,10-dioxaspiro[4.5]d
OPENEYE Name: 2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(3S,7S,8R,9S)-7-hydroxy-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofura
IUPAC Name: 2-[(2R,3S,4S,5R,6S)-2-hydroxy-6-[(1R)-1-[(3S,7S,8R,9S)-7-hydroxy-3-[(2R,5S)-5-[(2R,3S)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxyoxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]dec
SYSTEMATIC NAME: 2-[(2R,3S,4S,5R,6S)-5-methoxy-4-[(2S,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-6-[(1R)-1-[(3S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S)-3-[(2S,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-5-[(2S,3S,5R,6S)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]-5-methyl-oxolan-2
MOLECULAR FORMULA: C52H88O18
MOLECULAR WEIGHT: 1001.24432
SMILES: C[C@H]1C[C@H]([C@@](O[C@@H]1C2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CCC5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)O[C@H]7CC[C@@H]([C@H](O7)C)OC)OC)C)O)C)C)O[C@H]8CC[C@@H]([C@H](O8)C)OC)(C)O)C
Structure:
CAS RN: 170034-96-5
CAS Name: 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole
OPENEYE Name: 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)isoindoline
IUPAC Name: 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole
SYSTEMATIC NAME: 4-chloranyl-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole
MOLECULAR FORMULA: C11H12ClN3
MOLECULAR WEIGHT: 221.68608
SMILES: C1CN=C(N1)N2CC3=C(C2)C(=CC=C3)Cl
Structure:
CAS RN: 169682-76-2
CAS Name: 2-methyl-2-propenethioic acid S-(2-hydroxyethyl) ester
OPENEYE Name: S-(2-hydroxyethyl) 2-methylprop-2-enethioate
IUPAC Name: S-(2-hydroxyethyl) 2-methylprop-2-enethioate
SYSTEMATIC NAME: S-(2-hydroxyethyl) 2-methylprop-2-enethioate
MOLECULAR FORMULA: C6H10O2S
MOLECULAR WEIGHT: 146.2074
SMILES: CC(=C)C(=O)SCCO
Structure:
CAS RN: 168398-02-5
CAS Name: (2S,3S)-N-[[2-methoxy-5-(1-tetrazolyl)phenyl]methyl]-2-phenyl-3-piperidinamine dihydrochloride
OPENEYE Name: (2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenyl-piperidin-3-amine dihydrochloride
IUPAC Name: (2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine dihydrochloride
SYSTEMATIC NAME: (2S,3S)-N-[[2-methoxy-5-(1,2,3,4-tetrazol-1-yl)phenyl]methyl]-2-phenyl-piperidin-3-amine dihydrochloride
MOLECULAR FORMULA: C20H26Cl2N6O
MOLECULAR WEIGHT: 437.36604
SMILES: COC1=C(C=C(C=C1)N2C=NN=N2)CN[C@H]3CCCN[C@H]3C4=CC=CC=C4.Cl.Cl
Structure:
CAS RN: 168086-64-4
CAS Name: 2-[5-methoxy-2-methyl-1-[oxo-(2,4,6-trichlorophenyl)methyl]-3-indolyl]acetic acid
OPENEYE Name: 2-[5-methoxy-2-methyl-1-(2,4,6-trichlorobenzoyl)indol-3-yl]acetic acid
IUPAC Name: 2-[5-methoxy-2-methyl-1-(2,4,6-trichlorobenzoyl)indol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[5-methoxy-2-methyl-1-[2,4,6-tris(chloranyl)phenyl]carbonyl-indol-3-yl]ethanoic acid
MOLECULAR FORMULA: C19H14Cl3NO4
MOLECULAR WEIGHT: 426.67776
SMILES: CC1=C(C2=C(N1C(=O)C3=C(C=C(C=C3Cl)Cl)Cl)C=CC(=C2)OC)CC(=O)O
Structure:
CAS RN: 101565-18-8
CAS Name: 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-1H-indole-7-carboxamide
OPENEYE Name: 5-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-1H-indole-7-carboxamide
IUPAC Name: 5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-1H-indole-7-carboxamide
SYSTEMATIC NAME: 5-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]-1H-indole-7-carboxamide
MOLECULAR FORMULA: C21H25N3O2
MOLECULAR WEIGHT: 351.4421
SMILES: CC(CCC1=CC=CC=C1)NCC(C2=CC(=C3C(=C2)C=CN3)C(=O)N)O
Structure:
CAS RN: 166038-00-2
CAS Name: (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylthio]-1-[(2-cyclopentyloxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid cyclopentyl ester
OPENEYE Name: cyclopentyl (2S)-2-amino-5-[[(1R)-1-[(4-bromophenyl)methylsulfanylmethyl]-2-[[2-(cyclopentoxy)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate
IUPAC Name: cyclopentyl (2S)-2-amino-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-[(2-cyclopentyloxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
SYSTEMATIC NAME: cyclopentyl (2S)-2-azanyl-5-[[(2R)-3-[(4-bromophenyl)methylsulfanyl]-1-[(2-cyclopentyloxy-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C27H38BrN3O6S
MOLECULAR WEIGHT: 612.57612
SMILES: C1CCC(C1)OC(=O)CNC(=O)[C@H](CSCC2=CC=C(C=C2)Br)NC(=O)CC[C@@H](C(=O)OC3CCCC3)N
Structure:
CAS RN: 164173-56-2
CAS Name: N-ethyl-N-methylcarbamic acid [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] ester
OPENEYE Name: [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-ethyl-N-methyl-carbamate
IUPAC Name: [4-(2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-ethyl-N-methylcarbamate
SYSTEMATIC NAME: [4-[2,6-bis(chloranyl)phenyl]-1,2,5-thiadiazol-3-yl] N-ethyl-N-methyl-carbamate
MOLECULAR FORMULA: C12H11Cl2N3O2S
MOLECULAR WEIGHT: 332.20564
SMILES: CCN(C)C(=O)OC1=NSN=C1C2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 101554-61-4
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[[(2S)-1-[(2S,3S)-2-[[[(2S)-1-[2-[[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidiny
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-meth
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methy
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]
MOLECULAR FORMULA: C59H84N12O15
MOLECULAR WEIGHT: 1201.36966
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC6=CC=C(C=C6)O)N
Structure:
CAS RN: 101544-49-4
CAS Name: 5-(2-amino-1-hydroxyethyl)-1H-indole-7-carboxamide
OPENEYE Name: 5-(2-amino-1-hydroxy-ethyl)-1H-indole-7-carboxamide
IUPAC Name: 5-(2-amino-1-hydroxyethyl)-1H-indole-7-carboxamide
SYSTEMATIC NAME: 5-(2-azanyl-1-oxidanyl-ethyl)-1H-indole-7-carboxamide
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: C1=CNC2=C(C=C(C=C21)C(CN)O)C(=O)N
Structure:
CAS RN: 101527-45-1
CAS Name: 5-(fluoromethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-(fluoromethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-(fluoromethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(fluoranylmethyl)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13FN2O5
MOLECULAR WEIGHT: 260.219023
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CF)CO)O
Structure:
CAS RN: 163020-88-0
CAS Name: 2-hydroxy-3-(1-phenylpropyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one
OPENEYE Name: 2-hydroxy-3-(1-phenylpropyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one
IUPAC Name: 2-hydroxy-3-(1-phenylpropyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one
SYSTEMATIC NAME: 2-oxidanyl-3-(1-phenylpropyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-4-one
MOLECULAR FORMULA: C20H24O3
MOLECULAR WEIGHT: 312.40276
SMILES: CCC(C1=CC=CC=C1)C2=C(OC3=C(C2=O)CCCCCC3)O
Structure:
CAS RN: 101515-09-7
CAS Name: 1-[[9-[(4-azido-3-iodophenyl)methyl]-3-(propan-2-ylamino)-4-carbazolyl]oxy]-2-propanol
OPENEYE Name: 1-[9-[(4-azido-3-iodo-phenyl)methyl]-3-(isopropylamino)carbazol-4-yl]oxypropan-2-ol
IUPAC Name: 1-[9-[(4-azido-3-iodophenyl)methyl]-3-(propan-2-ylamino)carbazol-4-yl]oxypropan-2-ol
SYSTEMATIC NAME: 1-[9-[(4-azido-3-iodanyl-phenyl)methyl]-3-(propan-2-ylamino)carbazol-4-yl]oxypropan-2-ol
MOLECULAR FORMULA: C25H26IN5O2
MOLECULAR WEIGHT: 555.41071
SMILES: CC(C)NC1=C(C2=C(C=C1)N(C3=CC=CC=C32)CC4=CC(=C(C=C4)N=[N+]=[N-])I)OCC(C)O
Structure:
CAS RN: 162542-90-7
CAS Name: 4-[(2R)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine
OPENEYE Name: 4-[(2R)-2-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-phenyl-ethyl]pyridine
IUPAC Name: 4-[(2R)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine
SYSTEMATIC NAME: 4-[(2R)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-ethyl]pyridine
MOLECULAR FORMULA: C25H27NO2
MOLECULAR WEIGHT: 373.48738
SMILES: COC1=C(C=C(C=C1)[C@H](CC2=CC=NC=C2)C3=CC=CC=C3)OC4CCCC4
Structure:
CAS RN: 101515-08-6
CAS Name: [[(2R,3S,5R)-5-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,5R)-5-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,5R)-5-(2-amino-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,5R)-5-(2-azanyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C11H17N4O13P3
MOLECULAR WEIGHT: 506.192963
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 101513-21-7
CAS Name: 4-(4-aminophenyl)sulfonyl-3-methyl-N-propylaniline
OPENEYE Name: 4-(4-aminophenyl)sulfonyl-3-methyl-N-propyl-aniline
IUPAC Name: 4-(4-aminophenyl)sulfonyl-3-methyl-N-propylaniline
SYSTEMATIC NAME: 4-(4-aminophenyl)sulfonyl-3-methyl-N-propyl-aniline
MOLECULAR FORMULA: C16H20N2O2S
MOLECULAR WEIGHT: 304.4072
SMILES: CCCNC1=CC(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N)C
Structure:
CAS RN: 101511-34-6
CAS Name: 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid methyl ester
OPENEYE Name: methyl 4-hydroxy-3-(3-methylbut-2-enyl)benzoate
IUPAC Name: methyl 4-hydroxy-3-(3-methylbut-2-enyl)benzoate
SYSTEMATIC NAME: methyl 3-(3-methylbut-2-enyl)-4-oxidanyl-benzoate
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CC(=CCC1=C(C=CC(=C1)C(=O)OC)O)C
Structure:
CAS RN: 101510-87-6
CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-carboxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C30H55N7O9
MOLECULAR WEIGHT: 657.7992
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN
Structure:
CAS RN: 162011-83-8
CAS Name: 4-(3,4-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
OPENEYE Name: 4-(3,4-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
IUPAC Name: 4-(3,4-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
SYSTEMATIC NAME: 4-[3,4-bis(fluoranyl)phenyl]-3-(4-methylsulfonylphenyl)-2H-furan-5-one
MOLECULAR FORMULA: C17H12F2O4S
MOLECULAR WEIGHT: 350.336586
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC(=C(C=C3)F)F
Structure:
CAS RN: 161417-20-5
CAS Name: 2-methyl-3-[[(2R)-2-pyrrolidinyl]methoxy]pyridine
OPENEYE Name: 2-methyl-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
IUPAC Name: 2-methyl-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
SYSTEMATIC NAME: 2-methyl-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: CC1=C(C=CC=N1)OC[C@H]2CCCN2
Structure:
CAS RN: 101472-20-2
CAS Name: N-[(3S,4R)-1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-4-piperidinyl]-N-phenylpropanamide
OPENEYE Name: N-[(3S,4R)-1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-4-piperidyl]-N-phenyl-propanamide
IUPAC Name: N-[(3S,4R)-1-[2-(4-isothiocyanatophenyl)ethyl]-3-methylpiperidin-4-yl]-N-phenylpropanamide
SYSTEMATIC NAME: N-[(3S,4R)-1-[2-(4-isothiocyanatophenyl)ethyl]-3-methyl-piperidin-4-yl]-N-phenyl-propanamide
MOLECULAR FORMULA: C24H29N3OS
MOLECULAR WEIGHT: 407.57156
SMILES: CCC(=O)N([C@@H]1CCN(C[C@@H]1C)CCC2=CC=C(C=C2)N=C=S)C3=CC=CC=C3
Structure:
CAS RN: 161042-10-0
CAS Name: 2,3,5-triiodobenzoic acid 2-(2-methyl-1-oxoprop-2-enoxy)ethyl ester
OPENEYE Name: 2-(2-methylprop-2-enoyloxy)ethyl 2,3,5-triiodobenzoate
IUPAC Name: 2-(2-methylprop-2-enoyloxy)ethyl 2,3,5-triiodobenzoate
SYSTEMATIC NAME: 2-(2-methylprop-2-enoyloxy)ethyl 2,3,5-tris(iodanyl)benzoate
MOLECULAR FORMULA: C13H11I3O4
MOLECULAR WEIGHT: 611.93745
SMILES: CC(=C)C(=O)OCCOC(=O)C1=CC(=CC(=C1I)I)I
Structure:
CAS RN: 160766-13-2
CAS Name: (2S)-2-amino-2-[(3-fluoranyl-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid
OPENEYE Name: (2S)-2-amino-2-[(3-fluoranyl-4-hydroxy-phenyl)methyl]-3-fluoro-propanoic acid
IUPAC Name: (2S)-2-amino-2-[(3-fluoranyl-4-hydroxyphenyl)methyl]-3-fluoropropanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-2-(fluoranylmethyl)-3-(3-fluoranyl-4-oxidanyl-phenyl)propanoic acid
MOLECULAR FORMULA: C10H11F2NO3
MOLECULAR WEIGHT: 230.198581
SMILES: C1=CC(=C(C=C1C[C@@](CF)(C(=O)O)N)[18F])O
Structure:
CAS RN: 101470-42-2
CAS Name: 2-[[1-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[(1-oxo-2-phenylethyl)amino]butanoic acid
OPENEYE Name: 2-[[1-[[1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-4-[(2-phenylacetyl)amino]butanoic acid
IUPAC Name: 2-[[1-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[(2-phenylacetyl)amino]butanoic acid
SYSTEMATIC NAME: 2-[[1-[[3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-(2-phenylethanoylamino)butanoic acid
MOLECULAR FORMULA: C29H40N4O6
MOLECULAR WEIGHT: 540.6511
SMILES: CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC)NC(CCNC(=O)CC2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 160360-41-8
CAS Name: [4-(3-amino-2-pyridinyl)-1-piperazinyl]-(5-methoxy-1H-indol-2-yl)methanone
OPENEYE Name: [4-(3-amino-2-pyridyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
IUPAC Name: [4-(3-aminopyridin-2-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
SYSTEMATIC NAME: [4-(3-azanylpyridin-2-yl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
MOLECULAR FORMULA: C19H21N5O2
MOLECULAR WEIGHT: 351.40234
SMILES: COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCN(CC3)C4=C(C=CC=N4)N
Structure:
CAS RN: 155547-95-8
CAS Name: 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
OPENEYE Name: 4,8-diamino-N-[2-amino-2-oxo-1-(ureidomethyl)ethyl]-2,3,5,7,9-pentahydroxy-nonanamide
IUPAC Name: 4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
SYSTEMATIC NAME: N-[3-(aminocarbonylamino)-1-azanyl-1-oxidanylidene-propan-2-yl]-4,8-bis(azanyl)-2,3,5,7,9-pentakis(oxidanyl)nonanamide
MOLECULAR FORMULA: C13H28N6O8
MOLECULAR WEIGHT: 396.39682
SMILES: C(C(C(CO)N)O)C(C(C(C(C(=O)NC(CNC(=O)N)C(=O)N)O)O)N)O
Structure:
CAS RN: 101460-36-0
CAS Name: 3-bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-hydroxy-2,6-dimethoxybenzamide
OPENEYE Name: 3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-hydroxy-2,6-dimethoxy-benzamide
IUPAC Name: 3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-hydroxy-2,6-dimethoxybenzamide
SYSTEMATIC NAME: 3-bromanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dimethoxy-5-oxidanyl-benzamide
MOLECULAR FORMULA: C16H23BrN2O4
MOLECULAR WEIGHT: 387.26882
SMILES: CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2OC)Br)O)OC
Structure:
CAS RN: 155512-49-5
CAS Name: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl]-N-methylacetamide
OPENEYE Name: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-acetamide
IUPAC Name: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-ylethyl]-N-methylacetamide
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-N-[(1S)-1-(3-isothiocyanatophenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-ethanamide
MOLECULAR FORMULA: C22H23Cl2N3OS
MOLECULAR WEIGHT: 448.40852
SMILES: CN([C@H](CN1CCCC1)C2=CC(=CC=C2)N=C=S)C(=O)CC3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 155289-31-9
CAS Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]benzamide
OPENEYE Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide
IUPAC Name: 2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide
SYSTEMATIC NAME: 2-azanyl-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide
MOLECULAR FORMULA: C22H27N5OS
MOLECULAR WEIGHT: 409.54768
SMILES: C1CN(CCN1CCCCNC(=O)C2=CC=CC=C2N)C3=NSC4=CC=CC=C43
Structure:
CAS RN: 155238-60-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H35ClN2O4S
MOLECULAR WEIGHT: 627.1921
SMILES: CC[C@H](C(=O)O)OCCC1=C2C3=C(N1CC4=CC=C(C=C4)Cl)C=CC(=C3C[C@@H](S2)C)OCC5=NC=C(C=C5)C6=CC=CC=C6
Structure:
CAS RN: 101418-64-8
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C18H24N6O18P4
MOLECULAR WEIGHT: 736.307604
SMILES: CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O
Structure:
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