CAS RN: 122452-56-6
CAS Name: 2,4-dimethoxy-3-tributylstannylbenzoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2,4-dimethoxy-3-tributylstannyl-benzoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2,4-dimethoxy-3-tributylstannylbenzoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2,4-dimethoxy-3-tributylstannyl-benzoate
MOLECULAR FORMULA: C25H39NO6Sn
MOLECULAR WEIGHT: 568.29026
SMILES: CCCC[Sn](CCCC)(CCCC)C1=C(C=CC(=C1OC)C(=O)ON2C(=O)CCC2=O)OC
Structure:
CAS RN: 122445-70-9
CAS Name: (2S)-3-(4-hydroxyphenyl)-2-(1-oxooctadecylamino)propanoic acid methyl ester
OPENEYE Name: methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate
IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate
SYSTEMATIC NAME: methyl (2S)-3-(4-hydroxyphenyl)-2-(octadecanoylamino)propanoate
MOLECULAR FORMULA: C28H47NO4
MOLECULAR WEIGHT: 461.67708
SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC
Structure:
CAS RN: 106864-38-4
CAS Name: (2,4-dimethoxyphenyl)-phenylmethanamine
OPENEYE Name: (2,4-dimethoxyphenyl)-phenyl-methanamine
IUPAC Name: (2,4-dimethoxyphenyl)-phenylmethanamine
SYSTEMATIC NAME: (2,4-dimethoxyphenyl)-phenyl-methanamine
MOLECULAR FORMULA: C15H17NO2
MOLECULAR WEIGHT: 243.30098
SMILES: COC1=CC(=C(C=C1)C(C2=CC=CC=C2)N)OC
Structure:
CAS RN: 106868-52-4
CAS Name: 2-hydroxy-3-[[3-(1H-imidazol-5-yl)-2-[[4-(4-morpholinyl)-2-(1-naphthalenylmethyl)-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-5-methylhexanoic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-hydroxy-3-[[3-(1H-imidazol-5-yl)-2-[[4-morpholino-2-(1-naphthylmethyl)-4-oxo-butanoyl]amino]propanoyl]amino]-5-methyl-hexanoate
IUPAC Name: propan-2-yl 2-hydroxy-3-[[3-(1H-imidazol-5-yl)-2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoyl]amino]-5-methylhexanoate
SYSTEMATIC NAME: propan-2-yl 3-[[3-(1H-imidazol-5-yl)-2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-5-methyl-2-oxidanyl-hexanoate
MOLECULAR FORMULA: C35H47N5O7
MOLECULAR WEIGHT: 649.77698
SMILES: CC(C)CC(C(C(=O)OC(C)C)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)CC(=O)N4CCOCC4
Structure:
CAS RN: 122408-82-6
CAS Name: 2-(fluoromethyl)-3-(3,7,11,15-tetramethylhexadecyl)naphthalene-1,4-dione
OPENEYE Name: 2-(fluoromethyl)-3-(3,7,11,15-tetramethylhexadecyl)naphthalene-1,4-dione
IUPAC Name: 2-(fluoromethyl)-3-(3,7,11,15-tetramethylhexadecyl)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-(fluoranylmethyl)-3-(3,7,11,15-tetramethylhexadecyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C31H47FO2
MOLECULAR WEIGHT: 470.702083
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCC1=C(C(=O)C2=CC=CC=C2C1=O)CF
Structure:
CAS RN: 106929-78-6
CAS Name: 2-phenylseleninylethanamine
OPENEYE Name: 2-phenylseleninylethanamine
IUPAC Name: 2-phenylseleninylethanamine
SYSTEMATIC NAME: 2-phenylseleninylethanamine
MOLECULAR FORMULA: C8H11NOSe
MOLECULAR WEIGHT: 216.13904
SMILES: C1=CC=C(C=C1)[Se](=O)CCN
Structure:
CAS RN: 122407-13-0
CAS Name: 2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
OPENEYE Name: 2-(4,5-dichloro-2-isothiocyanato-phenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
IUPAC Name: 2-(4,5-dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SYSTEMATIC NAME: 2-[4,5-bis(chloranyl)-2-isothiocyanato-phenyl]-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]ethanamide
MOLECULAR FORMULA: C20H25Cl2N3OS
MOLECULAR WEIGHT: 426.403
SMILES: CN(C1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3N=C=S)Cl)Cl
Structure:
CAS RN: 106984-12-7
CAS Name: N-[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxohexyl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(2S)-6-amino-2-[(4-methyl-2-oxo-chromen-7-yl)amino]hexanoyl]carbamoyl]pentyl]carbamoyl]-4-oxo-butyl]carbamate
IUPAC Name: tert-butyl N-[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-2-[(4-methyl-2-oxochromen-7-yl)amino]hexanoyl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-5-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]hexanoyl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamate
MOLECULAR FORMULA: C32H49N7O8
MOLECULAR WEIGHT: 659.77356
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)N[C@@H](CCCCN)C(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)OC(C)(C)C
Structure:
CAS RN: 143899-80-3
CAS Name: N-[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxohexyl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(2S)-6-amino-2-[(4-methyl-2-oxo-chromen-7-yl)amino]hexanoyl]carbamoyl]pentyl]carbamoyl]-4-oxo-butyl]carbamate
IUPAC Name: tert-butyl N-[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-2-[(4-methyl-2-oxochromen-7-yl)amino]hexanoyl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2S)-5-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]hexanoyl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]carbamate
MOLECULAR FORMULA: C32H49N7O8
MOLECULAR WEIGHT: 659.77356
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)N[C@@H](CCCCN)C(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)OC(C)(C)C
Structure:
CAS RN: 122406-02-4
CAS Name: [hydroxy-[[(2S,5R)-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methoxy]phosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [hydroxy-[[(2S,5R)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [hydroxy-[[(2S,5R)-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2S,5R)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C10H15N4O12P3
MOLECULAR WEIGHT: 476.166983
SMILES: C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2NC=NC3=O
Structure:
CAS RN: 122384-14-9
CAS Name: 7-chloro-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
OPENEYE Name: 7-chloro-3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
IUPAC Name: 7-chloro-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SYSTEMATIC NAME: 7-chloranyl-5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
MOLECULAR FORMULA: C17H16ClN5O2
MOLECULAR WEIGHT: 357.79424
SMILES: CC(C)C1=NC(=NO1)C2=C3CN(C(=O)C4=C(N3C=N2)C=CC=C4Cl)C
Structure:
CAS RN: 122378-49-8
CAS Name: N-(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)-N'-methyl-1-piperazinecarbothiohydrazide
OPENEYE Name: N-(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)-N'-methyl-piperazine-1-carbothiohydrazide
IUPAC Name: N-(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)-N'-methylpiperazine-1-carbothiohydrazide
SYSTEMATIC NAME: N-(2-tert-butyl-5-methyl-1,3-benzothiazol-6-yl)-N'-methyl-piperazine-1-carbothiohydrazide
MOLECULAR FORMULA: C18H27N5S2
MOLECULAR WEIGHT: 377.57048
SMILES: CC1=CC2=C(C=C1N(C(=S)N3CCNCC3)NC)SC(=N2)C(C)(C)C
Structure:
CAS RN: 122368-24-5
CAS Name: N-[(1-methyl-2-indolyl)methyl]-2-propyn-1-amine
OPENEYE Name: N-[(1-methylindol-2-yl)methyl]prop-2-yn-1-amine
IUPAC Name: N-[(1-methylindol-2-yl)methyl]prop-2-yn-1-amine
SYSTEMATIC NAME: N-[(1-methylindol-2-yl)methyl]prop-2-yn-1-amine
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: CN1C2=CC=CC=C2C=C1CNCC#C
Structure:
CAS RN: 122349-91-1
CAS Name: 2,4,6-trimethyl-7-quinolinamine
OPENEYE Name: 2,4,6-trimethylquinolin-7-amine
IUPAC Name: 2,4,6-trimethylquinolin-7-amine
SYSTEMATIC NAME: 2,4,6-trimethylquinolin-7-amine
MOLECULAR FORMULA: C12H14N2
MOLECULAR WEIGHT: 186.25296
SMILES: CC1=CC(=NC2=CC(=C(C=C12)C)N)C
Structure:
CAS RN: 122341-74-6
CAS Name: 3,5-diamino-N-[amino-[(2-methoxy-5-nitrophenyl)methylimino]methyl]-6-chloro-2-pyrazinecarboxamide
OPENEYE Name: 3,5-diamino-6-chloro-N-[N'-[(2-methoxy-5-nitro-phenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
IUPAC Name: 3,5-diamino-6-chloro-N-[N'-[(2-methoxy-5-nitrophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
SYSTEMATIC NAME: 3,5-bis(azanyl)-6-chloranyl-N-[N'-[(2-methoxy-5-nitro-phenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
MOLECULAR FORMULA: C14H15ClN8O4
MOLECULAR WEIGHT: 394.7731
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
Structure:
CAS RN: 122341-44-0
CAS Name: 2-diazonio-5-[2-[ethyl(nitroso)amino]-1-hydroxyethyl]phenolate
OPENEYE Name: 2-diazonio-5-[2-[ethyl(nitroso)amino]-1-hydroxy-ethyl]phenolate
IUPAC Name: 2-diazonio-5-[2-[ethyl(nitroso)amino]-1-hydroxyethyl]phenolate
SYSTEMATIC NAME: 2-diazonio-5-[2-[ethyl(nitroso)amino]-1-oxidanyl-ethyl]phenolate
MOLECULAR FORMULA: C10H12N4O3
MOLECULAR WEIGHT: 236.22728
SMILES: CCN(CC(C1=CC(=C(C=C1)[N+]#N)[O-])O)N=O
Structure:
CAS RN: 122341-55-3
CAS Name: 2-diazonio-5-[2-[ethyl(nitroso)amino]-1-hydroxyethyl]phenolate
OPENEYE Name: 2-diazonio-5-[2-[ethyl(nitroso)amino]-1-hydroxy-ethyl]phenolate
IUPAC Name: 2-diazonio-5-[2-[ethyl(nitroso)amino]-1-hydroxyethyl]phenolate
SYSTEMATIC NAME: 2-diazonio-5-[2-[ethyl(nitroso)amino]-1-oxidanyl-ethyl]phenolate
MOLECULAR FORMULA: C10H12N4O3
MOLECULAR WEIGHT: 236.22728
SMILES: CCN(CC(C1=CC(=C(C=C1)[N+]#N)[O-])O)N=O
Structure:
CAS RN: 122328-38-5
CAS Name: (2S,5S)-2-(3-azido-5-methoxy-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
OPENEYE Name: (2S,5S)-2-(4-allyloxy-3-azido-5-methoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran
IUPAC Name: (2S,5S)-2-(3-azido-5-methoxy-4-prop-2-enoxyphenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
SYSTEMATIC NAME: (2S,5S)-2-(3-azido-5-methoxy-4-prop-2-enoxy-phenyl)-5-(3,4,5-trimethoxyphenyl)oxolane
MOLECULAR FORMULA: C23H27N3O6
MOLECULAR WEIGHT: 441.47698
SMILES: COC1=CC(=CC(=C1OCC=C)N=[N+]=[N-])[C@@H]2CC[C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC
Structure:
CAS RN: 122327-85-9
CAS Name: 5-ethenyl-N-phenyl-4,5-dihydrothiazol-2-amine
OPENEYE Name: N-phenyl-5-vinyl-4,5-dihydrothiazol-2-amine
IUPAC Name: 5-ethenyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-ethenyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
MOLECULAR FORMULA: C11H12N2S
MOLECULAR WEIGHT: 204.29138
SMILES: C=CC1CN=C(S1)NC2=CC=CC=C2
Structure:
CAS RN: 122321-07-7
CAS Name: 3-[cyclopropyl(oxo)methyl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
OPENEYE Name: 3-(cyclopropanecarbonyl)-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
IUPAC Name: 3-(cyclopropanecarbonyl)-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SYSTEMATIC NAME: 3-cyclopropylcarbonyl-8-fluoranyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
MOLECULAR FORMULA: C16H14FN3O2
MOLECULAR WEIGHT: 299.299663
SMILES: CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)F)C(=O)C4CC4
Structure:
CAS RN: 122321-05-5
CAS Name: 3-[cyclopropyl(oxo)methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
OPENEYE Name: 3-(cyclopropanecarbonyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
IUPAC Name: 3-(cyclopropanecarbonyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SYSTEMATIC NAME: 3-cyclopropylcarbonyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
MOLECULAR FORMULA: C16H15N3O2
MOLECULAR WEIGHT: 281.3092
SMILES: CN1CC2=C(N=CN2C3=CC=CC=C3C1=O)C(=O)C4CC4
Structure:
CAS RN: 122306-11-0
CAS Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(1-naphthalenyl)acetamide
OPENEYE Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-(1-naphthyl)acetamide
IUPAC Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-naphthalen-1-ylacetamide
SYSTEMATIC NAME: N-[3-[4-(3-azanylpropylamino)butylamino]propyl]-2-naphthalen-1-yl-ethanamide
MOLECULAR FORMULA: C22H34N4O
MOLECULAR WEIGHT: 370.53156
SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)NCCCNCCCCNCCCN
Structure:
CAS RN: 122299-14-3
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-oxo-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C18H33N5O7
MOLECULAR WEIGHT: 431.48392
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)N)O
Structure:
CAS RN: 122299-11-0
CAS Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-1-ox
OPENEYE Name: (3S)-4-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-carboxy-2-hydroxy-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-3-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbony
IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[
SYSTEMATIC NAME: (3S)-4-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]am
MOLECULAR FORMULA: C48H78N12O15
MOLECULAR WEIGHT: 1063.20432
SMILES: C[C@H]([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](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2)O
Structure:
CAS RN: 122280-12-0
CAS Name: (2S)-N-[(2S)-2-[(6-amino-1-oxohexyl)amino]-1-oxo-3-phenylpropyl]-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-1-(2-thiazolyl)propan-2-yl]amino]-4-methylpentanamide
OPENEYE Name: (2S)-N-[(2S)-2-(6-aminohexanoylamino)-3-phenyl-propanoyl]-2-[[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-2-thiazol-2-yl-ethyl]amino]-4-methyl-pentanamide
IUPAC Name: (2S)-N-[(2S)-2-(6-aminohexanoylamino)-3-phenylpropanoyl]-2-[[(1R,2S)-3-cyclohexyl-1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-4-methylpentanamide
SYSTEMATIC NAME: (2S)-N-[(2S)-2-(6-azanylhexanoylamino)-3-phenyl-propanoyl]-2-[[(1R,2S)-3-cyclohexyl-1-oxidanyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]-4-methyl-pentanamide
MOLECULAR FORMULA: C33H51N5O4S
MOLECULAR WEIGHT: 613.85414
SMILES: CC(C)C[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCCCN)N[C@@H](CC2CCCCC2)[C@H](C3=NC=CS3)O
Structure:
CAS RN: 122276-84-0
CAS Name: octadecanoic acid 1,3-diphosphonooxypropan-2-yl ester
OPENEYE Name: [2-phosphonooxy-1-(phosphonooxymethyl)ethyl] octadecanoate
IUPAC Name: 1,3-diphosphonooxypropan-2-yl octadecanoate
SYSTEMATIC NAME: 1,3-diphosphonooxypropan-2-yl octadecanoate
MOLECULAR FORMULA: C21H44O10P2
MOLECULAR WEIGHT: 518.515582
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(O)O)COP(=O)(O)O
Structure:
CAS RN: 122269-09-4
CAS Name: 7-(3-aminopropylamino)-2-heptanone
OPENEYE Name: 7-(3-aminopropylamino)heptan-2-one
IUPAC Name: 7-(3-aminopropylamino)heptan-2-one
SYSTEMATIC NAME: 7-(3-azanylpropylamino)heptan-2-one
MOLECULAR FORMULA: C10H22N2O
MOLECULAR WEIGHT: 186.29448
SMILES: CC(=O)CCCCCNCCCN
Structure:
CAS RN: 122263-14-3
CAS Name: 1,3-dimethyl-2-(nitromethylsulfonyl)benzene
OPENEYE Name: 1,3-dimethyl-2-(nitromethylsulfonyl)benzene
IUPAC Name: 1,3-dimethyl-2-(nitromethylsulfonyl)benzene
SYSTEMATIC NAME: 1,3-dimethyl-2-(nitromethylsulfonyl)benzene
MOLECULAR FORMULA: C9H11NO4S
MOLECULAR WEIGHT: 229.25294
SMILES: CC1=C(C(=CC=C1)C)S(=O)(=O)C[N+](=O)[O-]
Structure:
CAS RN: 107025-80-9
CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-1-(2-naphthalenyl)ethanone hydrochloride
OPENEYE Name: 2-[4-(4-fluorobenzoyl)-1-piperidyl]-1-(2-naphthyl)ethanone hydrochloride
IUPAC Name: 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-naphthalen-2-ylethanone hydrochloride
SYSTEMATIC NAME: 2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-1-naphthalen-2-yl-ethanone hydrochloride
MOLECULAR FORMULA: C24H23ClFNO2
MOLECULAR WEIGHT: 411.896323
SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CC(=O)C3=CC4=CC=CC=C4C=C3.Cl
Structure:
CAS RN: 7250-36-4
CAS Name: (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
OPENEYE Name: (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC Name: (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-10,13-dimethyl-1,3,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C24H40O5
MOLECULAR WEIGHT: 408.5714
SMILES: C[C@H](CCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(C(C[C@H](C4)O)O)C)O)C
Structure:
No comments:
Post a Comment