CAS RN: 108414-87-5
CAS Name: 3-amino-5-(3-aminoanilino)-6-chloro-N-(diaminomethylidene)-2-pyrazinecarboxamide
OPENEYE Name: 3-amino-5-(3-aminoanilino)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide
IUPAC Name: 3-amino-5-(3-aminoanilino)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
SYSTEMATIC NAME: 5-[(3-aminophenyl)amino]-3-azanyl-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide
MOLECULAR FORMULA: C12H13ClN8O
MOLECULAR WEIGHT: 320.73762
SMILES: C1=CC(=CC(=C1)NC2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N)N
Structure:
CAS RN: 108405-58-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21ClFN3O4
MOLECULAR WEIGHT: 409.839143
SMILES: CC1CC(=O)C2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O.Cl
Structure:
CAS RN: 108402-49-9
CAS Name: (2S)-2-[[(4S)-4-[[[4-[(2-amino-8-methyl-4-oxo-1,7-dihydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-4-carboxy-1-oxobutyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(4S)-4-[[4-[(2-amino-8-methyl-4-oxo-1,7-dihydropteridin-6-yl)methylamino]benzoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(4S)-4-[[4-[(2-amino-8-methyl-4-oxo-1,7-dihydropteridin-6-yl)methylamino]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(4S)-4-[[4-[(2-azanyl-8-methyl-4-oxidanylidene-1,7-dihydropteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C25H30N8O9
MOLECULAR WEIGHT: 586.5539
SMILES: CN1CC(=NC2=C1NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 108383-96-6
CAS Name: acetic acid [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] ester hydrochloride
OPENEYE Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate hydrochloride
IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C26H29ClN2O4S
MOLECULAR WEIGHT: 501.03746
SMILES: CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC3=CC=CC=C32)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC.Cl
Structure:
CAS RN: 108383-95-5
CAS Name: acetic acid [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] ester
OPENEYE Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate
IUPAC Name: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] acetate
SYSTEMATIC NAME: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydrobenzo[i][1,5]benzothiazepin-3-yl] ethanoate
MOLECULAR FORMULA: C26H28N2O4S
MOLECULAR WEIGHT: 464.57652
SMILES: CC(=O)O[C@@H]1[C@@H](SC2=C(C=CC3=CC=CC=C32)N(C1=O)CCN(C)C)C4=CC=C(C=C4)OC
Structure:
CAS RN: 123914-48-7
CAS Name: (3aS,5R)-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e]benzofuran-2-one
OPENEYE Name: (3aS,5R)-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e]benzofuran-2-one
IUPAC Name: (3aS,5R)-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
SYSTEMATIC NAME: (3aS,5R)-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
MOLECULAR FORMULA: C16H18O3
MOLECULAR WEIGHT: 258.31232
SMILES: C[C@@H]1C[C@H]2C(=C(C(=O)O2)C)C3=CC(=C(C=C13)OC)C
Structure:
CAS RN: 123914-43-2
CAS Name: (8R)-1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one
OPENEYE Name: (8R)-1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one
IUPAC Name: (8R)-1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one
SYSTEMATIC NAME: (8R)-1,5,8-trimethyl-7,8-dihydro-6H-azuleno[6,5-b]furan-2-one
MOLECULAR FORMULA: C15H16O2
MOLECULAR WEIGHT: 228.28634
SMILES: C[C@@H]1CCC2=C(C=C3C(=C(C(=O)O3)C)C=C12)C
Structure:
CAS RN: 123914-35-2
CAS Name: (2S)-5-hydroxy-2-[2-hydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2S)-5-hydroxy-2-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-7-methoxy-chroman-4-one
IUPAC Name: (2S)-5-hydroxy-2-[2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-methoxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2S)-2-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-phenyl]-7-methoxy-5-oxidanyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C22H24O11
MOLECULAR WEIGHT: 464.41936
SMILES: COC1=CC(=C2C(=O)C[C@H](OC2=C1)C3=C(C=CC=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Structure:
CAS RN: 108354-36-5
CAS Name: chloro-diethyl-methylstannane
OPENEYE Name: chloro-diethyl-methyl-stannane
IUPAC Name: chloro-diethyl-methylstannane
SYSTEMATIC NAME: chloranyl-diethyl-methyl-stannane
MOLECULAR FORMULA: C5H13ClSn
MOLECULAR WEIGHT: 227.31972
SMILES: CC[Sn](C)(CC)Cl
Structure:
CAS RN: 108354-35-4
CAS Name: bromo-ethyl-dimethylstannane
OPENEYE Name: bromo-ethyl-dimethyl-stannane
IUPAC Name: bromo-ethyl-dimethylstannane
SYSTEMATIC NAME: bromanyl-ethyl-dimethyl-stannane
MOLECULAR FORMULA: C4H11BrSn
MOLECULAR WEIGHT: 257.74414
SMILES: CC[Sn](C)(C)Br
Structure:
CAS RN: 108351-34-4
CAS Name: 4-hydroxy-5-(1,2,3,4-tetrahydroxybutyl)-2-imidazolidinone
OPENEYE Name: 4-hydroxy-5-(1,2,3,4-tetrahydroxybutyl)imidazolidin-2-one
IUPAC Name: 4-hydroxy-5-(1,2,3,4-tetrahydroxybutyl)imidazolidin-2-one
SYSTEMATIC NAME: 4-oxidanyl-5-[1,2,3,4-tetrakis(oxidanyl)butyl]imidazolidin-2-one
MOLECULAR FORMULA: C7H14N2O6
MOLECULAR WEIGHT: 222.19586
SMILES: C(C(C(C(C1C(NC(=O)N1)O)O)O)O)O
Structure:
CAS RN: 124076-67-1
CAS Name: (2R)-2-amino-3-[(2,2-dichloro-1,1-difluoroethyl)thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-(2,2-dichloro-1,1-difluoro-ethyl)sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-(2,2-dichloro-1,1-difluoroethyl)sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[2,2-bis(chloranyl)-1,1-bis(fluoranyl)ethyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C5H7Cl2F2NO2S
MOLECULAR WEIGHT: 254.082386
SMILES: C([C@@H](C(=O)O)N)SC(C(Cl)Cl)(F)F
Structure:
CAS RN: 124076-39-7
CAS Name: (2S,4R)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S,4R)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pyrrolidine-2-carboxamide
IUPAC Name: (2S,4R)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S,4R)-1-[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C36H50N6O12S
MOLECULAR WEIGHT: 790.8802
SMILES: CSCC[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2C[C@@H](C[C@H]2C(=O)N)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
Structure:
CAS RN: 124070-15-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H14N2O
MOLECULAR WEIGHT: 250.29516
SMILES: C1C2C3=CC=CC=C3C(N2)(C4=CC=CC=C41)C(=O)N
Structure:
CAS RN: 124066-40-6
CAS Name: 2-[(7-fluoro-9-oxo-2-xanthenyl)sulfonyl-methylamino]acetic acid
OPENEYE Name: 2-[(7-fluoro-9-oxo-xanthen-2-yl)sulfonyl-methyl-amino]acetic acid
IUPAC Name: 2-[(7-fluoro-9-oxoxanthen-2-yl)sulfonyl-methylamino]acetic acid
SYSTEMATIC NAME: 2-[(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)sulfonyl-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C16H12FNO6S
MOLECULAR WEIGHT: 365.332983
SMILES: CN(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)F
Structure:
CAS RN: 108333-74-0
CAS Name: 4-[(1R)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate
OPENEYE Name: 4-[(1R)-2-[butyl(nitroso)amino]-1-hydroxy-ethyl]-2-diazonio-phenolate
IUPAC Name: 4-[(1R)-2-[butyl(nitroso)amino]-1-hydroxyethyl]-2-diazoniophenolate
SYSTEMATIC NAME: 4-[(1R)-2-[butyl(nitroso)amino]-1-oxidanyl-ethyl]-2-diazonio-phenolate
MOLECULAR FORMULA: C12H16N4O3
MOLECULAR WEIGHT: 264.28044
SMILES: CCCCN(C[C@@H](C1=CC(=C(C=C1)[O-])[N+]#N)O)N=O
Structure:
CAS RN: 124065-13-0
CAS Name: 1-cyclohexyl-2-(4-methanimidoyl-1-piperazinyl)-1-phenylethanol hydrochloride
OPENEYE Name: 1-cyclohexyl-2-(4-methanimidoylpiperazin-1-yl)-1-phenyl-ethanol hydrochloride
IUPAC Name: 1-cyclohexyl-2-(4-methanimidoylpiperazin-1-yl)-1-phenylethanol hydrochloride
SYSTEMATIC NAME: 1-cyclohexyl-2-[4-(iminomethyl)piperazin-1-yl]-1-phenyl-ethanol hydrochloride
MOLECULAR FORMULA: C19H30ClN3O
MOLECULAR WEIGHT: 351.914
SMILES: C1CCC(CC1)C(CN2CCN(CC2)C=N)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 108331-06-2
CAS Name: (4aR,9bS)-2,8-dimethyl-2-oxido-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-ium
OPENEYE Name: (4aR,9bS)-2,8-dimethyl-2-oxido-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-ium
IUPAC Name: (4aR,9bS)-2,8-dimethyl-2-oxido-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-ium
SYSTEMATIC NAME: (4aR,9bS)-2,8-dimethyl-2-oxidanidyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-ium
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC1=CC2=C(C=C1)N[C@H]3[C@@H]2C[N+](CC3)(C)[O-]
Structure:
CAS RN: 124064-70-6
CAS Name: (4R)-2-methyl-4-[(2R,3R,4R,5R)-3,4,5-trihydroxy-2-oxolanyl]-1,3-dioxolane-2-carboxylic acid
OPENEYE Name: (4R)-2-methyl-4-[(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]-1,3-dioxolane-2-carboxylic acid
IUPAC Name: (4R)-2-methyl-4-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]-1,3-dioxolane-2-carboxylic acid
SYSTEMATIC NAME: (4R)-2-methyl-4-[(2R,3R,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]-1,3-dioxolane-2-carboxylic acid
MOLECULAR FORMULA: C9H14O8
MOLECULAR WEIGHT: 250.20266
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O
Structure:
CAS RN: 124050-77-7
CAS Name: (2S)-2,5-bis(3-aminopropylamino)-N-[2-(dioctadecylamino)-1-oxoethyl]pentanamide
OPENEYE Name: (2S)-2,5-bis(3-aminopropylamino)-N-[2-(dioctadecylamino)acetyl]pentanamide
IUPAC Name: (2S)-2,5-bis(3-aminopropylamino)-N-[2-(dioctadecylamino)acetyl]pentanamide
SYSTEMATIC NAME: (2S)-2,5-bis(3-azanylpropylamino)-N-[2-(dioctadecylamino)ethanoyl]pentanamide
MOLECULAR FORMULA: C49H102N6O2
MOLECULAR WEIGHT: 807.37318
SMILES: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CC(=O)NC(=O)[C@H](CCCNCCCN)NCCCN
Structure:
CAS RN: 108330-39-8
CAS Name: 2-(1-mercaptocyclohexyl)acetic acid
OPENEYE Name: 2-(1-sulfanylcyclohexyl)acetic acid
IUPAC Name: 2-(1-sulfanylcyclohexyl)acetic acid
SYSTEMATIC NAME: 2-(1-sulfanylcyclohexyl)ethanoic acid
MOLECULAR FORMULA: C8H14O2S
MOLECULAR WEIGHT: 174.26056
SMILES: C1CCC(CC1)(CC(=O)O)S
Structure:
CAS RN: 124051-38-3
CAS Name: (2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]hexanami
OPENEYE Name: (2S)-2,6-diamino-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(4H-imidazol-4-ylmethyl)-2-oxo-ethyl]hexanamide
IUPAC Name: (2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]hexanami
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]
MOLECULAR FORMULA: C40H56N14O6
MOLECULAR WEIGHT: 828.96284
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N)NC(=O)[C@H](CC4C=NC=N4)NC(=O)[C@H](CCCCN)N
Structure:
CAS RN: 124027-46-9
CAS Name: 2-methyl-5-(4-methyl-1-piperazinyl)-6-oxido-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium
OPENEYE Name: 2-methyl-5-(4-methylpiperazin-1-yl)-6-oxido-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium
IUPAC Name: 2-methyl-5-(4-methylpiperazin-1-yl)-6-oxido-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium
SYSTEMATIC NAME: 2-methyl-5-(4-methylpiperazin-1-yl)-6-oxidanidyl-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepin-6-ium
MOLECULAR FORMULA: C16H20N6O
MOLECULAR WEIGHT: 312.3696
SMILES: CC1=NN2C(=N1)CC3=CC=CC=C3[N+](=C2N4CCN(CC4)C)[O-]
Structure:
CAS RN: 124027-45-8
CAS Name: 2-methyl-5-(1-piperazinyl)-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
OPENEYE Name: 2-methyl-5-piperazin-1-yl-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
IUPAC Name: 2-methyl-5-piperazin-1-yl-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
SYSTEMATIC NAME: 2-methyl-5-piperazin-1-yl-11H-[1,2,4]triazolo[1,5-c][1,3]benzodiazepine
MOLECULAR FORMULA: C15H18N6
MOLECULAR WEIGHT: 282.34362
SMILES: CC1=NN2C(=N1)CC3=CC=CC=C3N=C2N4CCNCC4
Structure:
CAS RN: 123994-68-3
CAS Name: 2-[3-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one
OPENEYE Name: 2-[3-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one
IUPAC Name: 2-[3-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 2-[[3-(trifluoromethyl)phenyl]amino]-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C12H8F3N5O
MOLECULAR WEIGHT: 295.22003
SMILES: C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3)C(F)(F)F
Structure:
CAS RN: 123984-21-4
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(1S)-1-[[(1S)-2-(hydroxyamino)-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-4-methyl-1-[[(2S)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C14H26N4O4
MOLECULAR WEIGHT: 314.38064
SMILES: C[C@@H](C(=O)NO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1
Structure:
CAS RN: 123970-89-8
CAS Name: N-[2-(4-methoxyphenyl)-4-thiazolyl]-2H-tetrazole-5-carboxamide
OPENEYE Name: N-[2-(4-methoxyphenyl)thiazol-4-yl]-2H-tetrazole-5-carboxamide
IUPAC Name: N-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2H-tetrazole-5-carboxamide
SYSTEMATIC NAME: N-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2H-1,2,3,4-tetrazole-5-carboxamide
MOLECULAR FORMULA: C12H10N6O2S
MOLECULAR WEIGHT: 302.3118
SMILES: COC1=CC=C(C=C1)C2=NC(=CS2)NC(=O)C3=NNN=N3
Structure:
CAS RN: 123954-01-8
CAS Name: (3R,4S,5R,6R)-6-(hydroxymethyl)-3-[3-(3'-methoxy-3'-spiro[adamantane-2,4'-dioxetane]yl)phenyl]oxane-2,3,4,5-tetrol
OPENEYE Name: (3R,4S,5R,6R)-6-(hydroxymethyl)-3-[3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl]tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (3R,4S,5R,6R)-6-(hydroxymethyl)-3-[3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl]oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (3R,4S,5R,6R)-6-(hydroxymethyl)-3-[3-(3-methoxyspiro[1,2-dioxetane-4,2'-adamantane]-3-yl)phenyl]oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C24H32O9
MOLECULAR WEIGHT: 464.50548
SMILES: COC1(C2(C3CC4CC(C3)CC2C4)OO1)C5=CC=CC(=C5)[C@]6([C@H]([C@H]([C@H](OC6O)CO)O)O)O
Structure:
CAS RN: 123942-05-2
CAS Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 1-cyclopropyl-7-(2,6-dimethyl-4-pyridyl)-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C20H16F2N2O3
MOLECULAR WEIGHT: 370.349446
SMILES: CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F
Structure:
CAS RN: 123941-49-1
CAS Name: N-(2,6-dimethylphenyl)-2-thiazolamine hydrochloride
OPENEYE Name: N-(2,6-dimethylphenyl)thiazol-2-amine hydrochloride
IUPAC Name: N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine hydrochloride
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine hydrochloride
MOLECULAR FORMULA: C11H13ClN2S
MOLECULAR WEIGHT: 240.75232
SMILES: CC1=C(C(=CC=C1)C)NC2=NC=CS2.Cl
Structure:
CAS RN: 123924-38-9
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-4-carboxy-1-oxobutyl]amino]-1-oxohexyl]amino]-3-carboxy-1-oxopropyl]amino]-4-carboxy-1-oxobutyl]amino]-4-methylpentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-4-carboxy-butanoyl]amino]hexanoyl]amino]-3-carboxy-propanoyl]amino]-4-carboxy-butanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pent
MOLECULAR FORMULA: C29H49N7O14
MOLECULAR WEIGHT: 719.73786
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)N
Structure:
CAS RN: 123914-32-9
CAS Name: (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylic acid
OPENEYE Name: (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylic acid
IUPAC Name: (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylic acid
SYSTEMATIC NAME: (1R,2R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-1,4a,6a,6b,9,9,12a-heptamethyl-4,10-bis(oxidanyl)-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylic acid
MOLECULAR FORMULA: C30H48O4
MOLECULAR WEIGHT: 472.69972
SMILES: C[C@H]1[C@@H](C[C@@H]([C@]2([C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)O)C(=O)O
Structure:
CAS RN: 108322-11-8
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C27H29N3O6
MOLECULAR WEIGHT: 491.53566
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:
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