CAS RN: 132432-63-4
CAS Name: acetic acid [1-acetyloxy-3-bis(2-chloroethylamino)phosphoryloxypropyl] ester
OPENEYE Name: [1-acetoxy-3-bis(2-chloroethylamino)phosphoryloxy-propyl] acetate
IUPAC Name: [1-acetyloxy-3-bis(2-chloroethylamino)phosphoryloxypropyl] acetate
SYSTEMATIC NAME: [1-acetyloxy-3-bis(2-chloroethylamino)phosphoryloxy-propyl] ethanoate
MOLECULAR FORMULA: C11H21Cl2N2O6P
MOLECULAR WEIGHT: 379.174001
SMILES: CC(=O)OC(CCOP(=O)(NCCCl)NCCCl)OC(=O)C
Structure:
CAS RN: 132417-96-0
CAS Name: 1-hydroxy-10-methoxy-8-methyl-12-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-6-naphtho[1,2-c][2]benzopyranone
OPENEYE Name: 1-hydroxy-10-methoxy-8-methyl-12-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-naphtho[1,2-c]isochromen-6-one
IUPAC Name: 1-hydroxy-10-methoxy-8-methyl-12-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynaphtho[1,2-c]isochromen-6-one
SYSTEMATIC NAME: 10-methoxy-8-methyl-12-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-naphtho[1,2-c]isochromen-6-one
MOLECULAR FORMULA: C25H24O9
MOLECULAR WEIGHT: 468.45266
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C3C(=C4C(=C2)C5=C(C=C(C=C5C(=O)O4)C)OC)C=CC=C3O)O)O)O
Structure:
CAS RN: 132412-65-8
CAS Name: 2-[8-acetyloxy-12-hydroxy-2-(2-methyl-3-propyl-2-oxiranyl)-4,11-dioxo-9,10-dihydro-8H-naphtho[2,3-h][1]benzopyran-5-yl]acetic acid
OPENEYE Name: 2-[8-acetoxy-12-hydroxy-2-(2-methyl-3-propyl-oxiran-2-yl)-4,11-dioxo-9,10-dihydro-8H-naphtho[2,3-h]chromen-5-yl]acetic acid
IUPAC Name: 2-[8-acetyloxy-12-hydroxy-2-(2-methyl-3-propyloxiran-2-yl)-4,11-dioxo-9,10-dihydro-8H-naphtho[2,3-h]chromen-5-yl]acetic acid
SYSTEMATIC NAME: 2-[8-acetyloxy-2-(2-methyl-3-propyl-oxiran-2-yl)-12-oxidanyl-4,11-bis(oxidanylidene)-9,10-dihydro-8H-naphtho[2,3-h]chromen-5-yl]ethanoic acid
MOLECULAR FORMULA: C27H26O9
MOLECULAR WEIGHT: 494.48994
SMILES: CCCC1C(O1)(C)C2=CC(=O)C3=C(O2)C4=C(C5=C(C=C4C=C3CC(=O)O)C(CCC5=O)OC(=O)C)O
Structure:
CAS RN: 132391-61-8
CAS Name: (2S)-6-amino-2-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-2-[[1-oxo-2-[(4,5,8-trihydroxy-9,10-dioxo-1-anthracenyl)amino]ethyl]amino]propyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-[(4,5,8-trihydroxy-9,10-dioxo-1-anthryl)amino]acetyl]amino]propanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-[(4,5,8-trihydroxy-9,10-dioxoanthracen-1-yl)amino]acetyl]amino]propanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[2-[[4,5,8-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethanoylamino]propanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C28H30N6O9
MOLECULAR WEIGHT: 594.5726
SMILES: C1=CC(=C2C(=C1NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CCCCN)C(=O)O)C(=O)C4=C(C=CC(=C4C2=O)O)O)O
Structure:
CAS RN: 132391-60-7
CAS Name: (2S)-6-amino-2-[[(2S)-2-[[2-[(4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanoic acid
OPENEYE Name: (2S)-6-amino-2-[[(2S)-2-[[2-[(4-hydroxy-9,10-dioxo-1-anthryl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[2-[[4-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethanoylamino]propanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C28H30N6O7
MOLECULAR WEIGHT: 562.5738
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NCC(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CCCCN)C(=O)O
Structure:
CAS RN: 132367-76-1
CAS Name: 5-iodo-2,3-dihydro-1H-inden-2-amine
OPENEYE Name: 5-iodoindan-2-amine
IUPAC Name: 5-iodo-2,3-dihydro-1H-inden-2-amine
SYSTEMATIC NAME: 5-iodanyl-2,3-dihydro-1H-inden-2-amine
MOLECULAR FORMULA: C9H10IN
MOLECULAR WEIGHT: 259.08687
SMILES: C1C(CC2=C1C=CC(=C2)I)N
Structure:
CAS RN: 136134-09-3
CAS Name: 2-hydroxyethyl [(2R)-2-(1-oxododecylamino)hexyl] hydrogen phosphate
OPENEYE Name: [(2R)-2-(dodecanoylamino)hexyl] 2-hydroxyethyl hydrogen phosphate
IUPAC Name: [(2R)-2-(dodecanoylamino)hexyl] 2-hydroxyethyl hydrogen phosphate
SYSTEMATIC NAME: [(2R)-2-(dodecanoylamino)hexyl] 2-hydroxyethyl hydrogen phosphate
MOLECULAR FORMULA: C20H42NO6P
MOLECULAR WEIGHT: 423.524341
SMILES: CCCCCCCCCCCC(=O)N[C@H](CCCC)COP(=O)(O)OCCO
Structure:
CAS RN: 132316-36-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H38ClN3O3
MOLECULAR WEIGHT: 548.11542
SMILES: CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1.C[C@@H]([C@H](C1=CC=CC=C1)O)NC
Structure:
CAS RN: 132316-35-9
CAS Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione; 4-(dimethylamino)benzoic acid 2-ethylhexyl ester
OPENEYE Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione; 2-ethylhexyl 4-(dimethylamino)benzoate
IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione; 2-ethylhexyl 4-(dimethylamino)benzoate
SYSTEMATIC NAME: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione; 2-ethylhexyl 4-(dimethylamino)benzoate
MOLECULAR FORMULA: C37H49NO5
MOLECULAR WEIGHT: 587.78866
SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C.CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 132305-66-9
CAS Name: 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl ester
OPENEYE Name: 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
IUPAC Name: 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SYSTEMATIC NAME: 3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propyl 8-fluoranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
MOLECULAR FORMULA: C22H18FN7O6
MOLECULAR WEIGHT: 495.420023
SMILES: CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)F)C(=O)OCCCNC4=CC=C(C5=NON=C45)[N+](=O)[O-]
Structure:
CAS RN: 132259-06-4
CAS Name: (2S)-N'-hydroxy-N-[(2R)-3-methyl-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]-2-(2-methylpropyl)butanediamide
OPENEYE Name: (2S)-N-[(1R)-1-(benzylcarbamoyl)-2-methyl-propyl]-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanamide
IUPAC Name: (2S)-N-[(2R)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SYSTEMATIC NAME: (2S)-N-[(2R)-3-methyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]-2-(2-methylpropyl)-N'-oxidanyl-butanediamide
MOLECULAR FORMULA: C20H31N3O4
MOLECULAR WEIGHT: 377.47784
SMILES: CC(C)C[C@@H](CC(=O)NO)C(=O)N[C@H](C(C)C)C(=O)NCC1=CC=CC=C1
Structure:
CAS RN: 132247-17-7
CAS Name: (2R)-1-[(2S)-2-amino-1-oxopropyl]-2-cyanopyrrolidine-2,3-dicarboxylic acid O3-tert-butyl ester O2-(phenylmethyl) ester
OPENEYE Name: O2-benzyl O3-tert-butyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyano-pyrrolidine-2,3-dicarboxylate
IUPAC Name: 2-O-benzyl 3-O-tert-butyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyanopyrrolidine-2,3-dicarboxylate
SYSTEMATIC NAME: O3-tert-butyl O2-(phenylmethyl) (2R)-1-[(2S)-2-azanylpropanoyl]-2-cyano-pyrrolidine-2,3-dicarboxylate
MOLECULAR FORMULA: C21H27N3O5
MOLECULAR WEIGHT: 401.45618
SMILES: C[C@@H](C(=O)N1CCC([C@@]1(C#N)C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C)N
Structure:
CAS RN: 132235-85-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H25N5O5
MOLECULAR WEIGHT: 439.4644
SMILES: C1C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](CC3=CN(CC(=O)N2C1)C=N3)C(=O)O)CC4=CC=CC=C4
Structure:
CAS RN: 132210-63-0
CAS Name: (6R,7S)-9-amino-7-nonyl-4-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylic acid 7-(diaminomethylideneamino)heptyl ester
OPENEYE Name: 7-guanidinoheptyl (6R,7S)-9-amino-7-nonyl-4-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate
IUPAC Name: 7-(diaminomethylideneamino)heptyl (6R,7S)-9-amino-7-nonyl-4-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate
SYSTEMATIC NAME: 7-[bis(azanyl)methylideneamino]heptyl (6R,7S)-9-azanyl-7-nonyl-4-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate
MOLECULAR FORMULA: C25H48N6O3
MOLECULAR WEIGHT: 480.68702
SMILES: CCCCCCCCC[C@H]1[C@H](C2(CCCO2)NC(=N1)N)C(=O)OCCCCCCCN=C(N)N
Structure:
CAS RN: 132210-30-1
CAS Name: dimethyl-[4-(trimethylammonio)butyl]-[3-(trimethylammonio)propyl]ammonium
OPENEYE Name: dimethyl-[4-(trimethylammonio)butyl]-[3-(trimethylammonio)propyl]ammonium
IUPAC Name: dimethyl-[4-(trimethylazaniumyl)butyl]-[3-(trimethylazaniumyl)propyl]azanium
SYSTEMATIC NAME: dimethyl-[4-(trimethylazaniumyl)butyl]-[3-(trimethylazaniumyl)propyl]azanium
MOLECULAR FORMULA: C15H38N3+3
MOLECULAR WEIGHT: 260.48232
SMILES: C[N+](C)(C)CCCC[N+](C)(C)CCC[N+](C)(C)C
Structure:
CAS RN: 132195-09-6
CAS Name: N-(1-phenylpropyl)-1-benzotriazolamine
OPENEYE Name: N-(1-phenylpropyl)benzotriazol-1-amine
IUPAC Name: N-(1-phenylpropyl)benzotriazol-1-amine
SYSTEMATIC NAME: N-(1-phenylpropyl)benzotriazol-1-amine
MOLECULAR FORMULA: C15H16N4
MOLECULAR WEIGHT: 252.31434
SMILES: CCC(C1=CC=CC=C1)NN2C3=CC=CC=C3N=N2
Structure:
CAS RN: 132195-06-3
CAS Name: (3-isocyanato-1-phenylbutyl)benzene
OPENEYE Name: (3-isocyanato-1-phenyl-butyl)benzene
IUPAC Name: (3-isocyanato-1-phenylbutyl)benzene
SYSTEMATIC NAME: (3-isocyanato-1-phenyl-butyl)benzene
MOLECULAR FORMULA: C17H17NO
MOLECULAR WEIGHT: 251.32298
SMILES: CC(CC(C1=CC=CC=C1)C2=CC=CC=C2)N=C=O
Structure:
CAS RN: 132194-31-1
CAS Name: 4-[4-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-1-piperazinyl]-3-methoxyphenol
OPENEYE Name: 4-[4-[2-hydroxy-3-(1-naphthyloxy)propyl]piperazin-1-yl]-3-methoxy-phenol
IUPAC Name: 4-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-1-yl]-3-methoxyphenol
SYSTEMATIC NAME: 3-methoxy-4-[4-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)piperazin-1-yl]phenol
MOLECULAR FORMULA: C24H28N2O4
MOLECULAR WEIGHT: 408.49012
SMILES: COC1=C(C=CC(=C1)O)N2CCN(CC2)CC(COC3=CC=CC4=CC=CC=C43)O
Structure:
CAS RN: 132194-30-0
CAS Name: 2-[4-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-1-piperazinyl]phenol
OPENEYE Name: 2-[4-[2-hydroxy-3-(1-naphthyloxy)propyl]piperazin-1-yl]phenol
IUPAC Name: 2-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-1-yl]phenol
SYSTEMATIC NAME: 2-[4-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)piperazin-1-yl]phenol
MOLECULAR FORMULA: C23H26N2O3
MOLECULAR WEIGHT: 378.46414
SMILES: C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=C4O
Structure:
CAS RN: 132183-42-7
CAS Name: [[(2R,3S,5R)-5-(5-chloro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,5R)-5-(5-chloro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,5R)-5-(5-chloro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,5R)-5-[5-chloranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C9H14ClN2O14P3
MOLECULAR WEIGHT: 502.586743
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Structure:
CAS RN: 132178-19-9
CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorobenzene-1,2-diol
OPENEYE Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-fluoro-benzene-1,2-diol
IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorobenzene-1,2-diol
SYSTEMATIC NAME: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-fluoranyl-benzene-1,2-diol
MOLECULAR FORMULA: C13H20FNO4
MOLECULAR WEIGHT: 273.300603
SMILES: CC(C)(C)NCC(COC1=C(C=C(C(=C1)O)O)F)O
Structure:
CAS RN: 132160-35-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H68O13
MOLECULAR WEIGHT: 768.97082
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2OC3CCC45CC46CC[C@@]7([C@H]([C@@H](C[C@]7(C6C[C@H](C5C3(C)C)O)C)O)[C@]8(CC[C@H](O8)C(C)(C)O)C)C)O)O)O)O)O
Structure:
CAS RN: 132151-84-9
CAS Name: 4-amino-N-(1-methyl-5-nitro-2-imidazolyl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(1-methyl-5-nitro-imidazol-2-yl)benzenesulfonamide
IUPAC Name: 4-amino-N-(1-methyl-5-nitroimidazol-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(1-methyl-5-nitro-imidazol-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C10H11N5O4S
MOLECULAR WEIGHT: 297.29044
SMILES: CN1C(=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N)[N+](=O)[O-]
Structure:
CAS RN: 132151-83-8
CAS Name: N2,N3,N4-trimethylpyridine-2,3,4-triamine
OPENEYE Name: N2,N3,N4-trimethylpyridine-2,3,4-triamine
IUPAC Name: 2-N,3-N,4-N-trimethylpyridine-2,3,4-triamine
SYSTEMATIC NAME: N2,N3,N4-trimethylpyridine-2,3,4-triamine
MOLECULAR FORMULA: C8H14N4
MOLECULAR WEIGHT: 166.22356
SMILES: CNC1=C(C(=NC=C1)NC)NC
Structure:
CAS RN: 132151-80-5
CAS Name: trimethyl-[(9-trimethylsilyl-6-purinyl)thio]silane
OPENEYE Name: trimethyl-(9-trimethylsilylpurin-6-yl)sulfanyl-silane
IUPAC Name: trimethyl-(9-trimethylsilylpurin-6-yl)sulfanylsilane
SYSTEMATIC NAME: trimethyl-(9-trimethylsilylpurin-6-yl)sulfanyl-silane
MOLECULAR FORMULA: C11H20N4SSi2
MOLECULAR WEIGHT: 296.5393
SMILES: C[Si](C)(C)N1C=NC2=C1N=CN=C2S[Si](C)(C)C
Structure:
CAS RN: 132149-55-4
CAS Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C16H22N4O4
MOLECULAR WEIGHT: 334.37028
SMILES: C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N
Structure:
CAS RN: 132138-94-4
CAS Name: 3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
OPENEYE Name: 3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
IUPAC Name: 3,9-dihydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
SYSTEMATIC NAME: 2-methoxy-3,9-bis(oxidanyl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
MOLECULAR FORMULA: C13H14N2O5
MOLECULAR WEIGHT: 278.26066
SMILES: COC1=C(C=C2C(=C1)C(=O)N3C(CCC3O)C(=O)N2)O
Structure:
CAS RN: 132103-63-0
CAS Name: 4-(chloroamino)-N-[2-(diethylamino)ethyl]benzamide
OPENEYE Name: 4-(chloroamino)-N-[2-(diethylamino)ethyl]benzamide
IUPAC Name: 4-(chloroamino)-N-[2-(diethylamino)ethyl]benzamide
SYSTEMATIC NAME: 4-(chloranylamino)-N-[2-(diethylamino)ethyl]benzamide
MOLECULAR FORMULA: C13H20ClN3O
MOLECULAR WEIGHT: 269.7704
SMILES: CCN(CC)CCNC(=O)C1=CC=C(C=C1)NCl
Structure:
CAS RN: 132054-05-8
CAS Name: 1'-(phenylmethyl)-2-[2-(4-phenyl-1-piperazinyl)ethyl]spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]
OPENEYE Name: 1'-benzyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]
IUPAC Name: 1'-benzyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]
SYSTEMATIC NAME: 1'-(phenylmethyl)-2-[2-(4-phenylpiperazin-1-yl)ethyl]spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]
MOLECULAR FORMULA: C34H41N5
MOLECULAR WEIGHT: 519.72284
SMILES: C1CN(C2(CCN(CC2)CC3=CC=CC=C3)C4=C1C5=CC=CC=C5N4)CCN6CCN(CC6)C7=CC=CC=C7
Structure:
CAS RN: 132041-94-2
CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]am
OPENEYE Name: (3S)-3-amino-4-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-benzyl-2-[[3-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-3-oxo-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butan
IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanyliden
MOLECULAR FORMULA: C39H56N8O10S
MOLECULAR WEIGHT: 828.97454
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 132035-29-1
CAS Name: (6S,6aS,9S)-3,6-dihydroxy-2,9-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
OPENEYE Name: (6S,6aS,9S)-3,6-dihydroxy-2,9-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
IUPAC Name: (6S,6aS,9S)-3,6-dihydroxy-2,9-dimethoxy-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SYSTEMATIC NAME: (6S,6aS,9S)-2,9-dimethoxy-3,6-bis(oxidanyl)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: CO[C@H]1CC[C@@H]2N1C(=O)C3=CC(=C(C=C3N[C@H]2O)O)OC
Structure:
CAS RN: 132033-96-6
CAS Name: 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-3-one
OPENEYE Name: 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-3-one
IUPAC Name: 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-one
SYSTEMATIC NAME: 5-(4,4-diphenylbut-3-enyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-one
MOLECULAR FORMULA: C22H22N2O2
MOLECULAR WEIGHT: 346.42228
SMILES: C1CN(CC2=C1ONC2=O)CCC=C(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 132031-90-4
CAS Name: sulfamic acid [1-(2-methoxyphenoxy)-3-sulfamoyloxypropan-2-yl] ester
OPENEYE Name: [1-[(2-methoxyphenoxy)methyl]-2-sulfamoyloxy-ethyl] sulfamate
IUPAC Name: [1-(2-methoxyphenoxy)-3-sulfamoyloxypropan-2-yl] sulfamate
SYSTEMATIC NAME: [1-(2-methoxyphenoxy)-3-sulfamoyloxy-propan-2-yl] sulfamate
MOLECULAR FORMULA: C10H16N2O8S2
MOLECULAR WEIGHT: 356.37264
SMILES: COC1=CC=CC=C1OCC(COS(=O)(=O)N)OS(=O)(=O)N
Structure:
CAS RN: 132031-83-5
CAS Name: (2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxobutyl)amino]-5-decan-5-yloxy-4-methylsulfinyl-1,5-dioxopentyl]amino]-3-(4H-imidazol-4-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-aminobutanoylamino)-5-(1-butylhexoxy)-4-methylsulfinyl-5-oxo-pentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-aminobutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxopentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2R)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylbutanoylamino)-5-decan-5-yloxy-4-methylsulfinyl-5-oxidanylidene-pentanoyl]amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C50H75N9O10S
MOLECULAR WEIGHT: 994.2498
SMILES: CCCCCC(CCCC)OC(=O)C(C[C@@H](C(=O)N[C@@H](CC1C=NC=N1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC)N)S(=O)C
Structure:
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