CAS RN: 6362-68-1
CAS Name: 4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
OPENEYE Name: 4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
IUPAC Name: 4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
SYSTEMATIC NAME: 4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)aniline
MOLECULAR FORMULA: C15H13ClN2O
MOLECULAR WEIGHT: 272.72952
SMILES: CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)N)Cl
Structure:
CAS RN: 39695-71-1
CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid
OPENEYE Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid
IUPAC Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid
SYSTEMATIC NAME: 3-phenyl-2,1-benzoxazole-5-carboxylic acid
MOLECULAR FORMULA: C14H9NO3
MOLECULAR WEIGHT: 239.22616
SMILES: C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)O
Structure:
CAS RN: 184592-61-8
CAS Name: 2-[[2,6-dihydroxy-4-[[3-(4-hydroxyphenyl)-2-(2-naphthalenylsulfonylamino)propoxy]-oxomethyl]phenyl]-oxomethyl]-3-hydroxybenzoic acid
OPENEYE Name: 2-[2,6-dihydroxy-4-[3-(4-hydroxyphenyl)-2-(2-naphthylsulfonylamino)propoxy]carbonyl-benzoyl]-3-hydroxy-benzoic acid
IUPAC Name: 2-[2,6-dihydroxy-4-[3-(4-hydroxyphenyl)-2-(naphthalen-2-ylsulfonylamino)propoxy]carbonylbenzoyl]-3-hydroxybenzoic acid
SYSTEMATIC NAME: 2-[4-[3-(4-hydroxyphenyl)-2-(naphthalen-2-ylsulfonylamino)propoxy]carbonyl-2,6-bis(oxidanyl)phenyl]carbonyl-3-oxidanyl-benzoic acid
MOLECULAR FORMULA: C34H27NO11S
MOLECULAR WEIGHT: 657.64328
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC(CC3=CC=C(C=C3)O)COC(=O)C4=CC(=C(C(=C4)O)C(=O)C5=C(C=CC=C5O)C(=O)O)O
Structure:
CAS RN: 81380-25-8
CAS Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azido-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] dihydroxyphosphoryl hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azido-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphoryl hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphoryl hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-azanyl-8-azido-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] bis(oxidanyl)phosphoryl hydrogen phosphate
MOLECULAR FORMULA: C10H15N8O13P3
MOLECULAR WEIGHT: 549.193329
SMILES: C1=NC2=C(C(=N1)N)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[32P](=O)(O)O)O)O)N=[N+]=[N-]
Structure:
CAS RN: 97902-38-0
CAS Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitro-6-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]yl]methyl hydrogen phosphate
OPENEYE Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl hydrogen phosphate
IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitrospiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C16H14N8O13P-
MOLECULAR WEIGHT: 557.301921
SMILES: C1=C(C=C(C2(C1[N+](=O)[O-])O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C4N=CN=C5N)COP(=O)(O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 405917-67-1
CAS Name: 2-methoxyacetic acid [2-[1H-indol-2-yl(oxo)methyl]-1H-indol-5-yl] ester
OPENEYE Name: [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-methoxyacetate
IUPAC Name: [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-methoxyacetate
SYSTEMATIC NAME: [2-(1H-indol-2-ylcarbonyl)-1H-indol-5-yl] 2-methoxyethanoate
MOLECULAR FORMULA: C20H16N2O4
MOLECULAR WEIGHT: 348.35204
SMILES: COCC(=O)OC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC4=CC=CC=C4N3
Structure:
CAS RN: 249762-75-2
CAS Name: 2-(dimethylamino)acetic acid [2-[1H-indol-2-yl(oxo)methyl]-1H-indol-5-yl] ester
OPENEYE Name: [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-(dimethylamino)acetate
IUPAC Name: [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-(dimethylamino)acetate
SYSTEMATIC NAME: [2-(1H-indol-2-ylcarbonyl)-1H-indol-5-yl] 2-(dimethylamino)ethanoate
MOLECULAR FORMULA: C21H19N3O3
MOLECULAR WEIGHT: 361.39386
SMILES: CN(C)CC(=O)OC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC4=CC=CC=C4N3
Structure:
CAS RN: 7272-84-6
CAS Name: 3-pyridin-4-yl-1H-indole
OPENEYE Name: 3-(4-pyridyl)-1H-indole
IUPAC Name: 3-pyridin-4-yl-1H-indole
SYSTEMATIC NAME: 3-pyridin-4-yl-1H-indole
MOLECULAR FORMULA: C13H10N2
MOLECULAR WEIGHT: 194.2319
SMILES: C1=CC=C2C(=C1)C(=CN2)C3=CC=NC=C3
Structure:
CAS RN: 260354-32-3
CAS Name: 6-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid [(2R)-3-[hydroxy-[(2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-(1-oxohexoxy)propyl] ester
OPENEYE Name: [(2R)-2-hexanoyloxy-3-[hydroxy-[(2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphoryl]oxy-propyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate
IUPAC Name: [(2R)-2-hexanoyloxy-3-[hydroxy-[(2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate
SYSTEMATIC NAME: [(2R)-2-hexanoyloxy-3-[oxidanyl-[(2R,3R,4S,5S,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] 6-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate
MOLECULAR FORMULA: C31H56N3O21P3S
MOLECULAR WEIGHT: 931.770123
SMILES: CCCCCC(=O)O[C@H](COC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)COP(=O)(O)OC3[C@@H]([C@H]([C@@H]([C@H]([C@H]3O)OP(=O)(O)O)OP(=O)(O)O)O)O
Structure:
CAS RN: 104414-01-9
CAS Name: 3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-2-porphyrin-21,23-diidyl]propanoate; iron(2+)
OPENEYE Name: ferrous 3-[18-(2-carboxylatoethyl)-3,8,13,17-tetramethyl-7,12-divinyl-porphyrin-21,23-diid-2-yl]propanoate
IUPAC Name: 3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate; iron(2+)
SYSTEMATIC NAME: 3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,23-diid-2-yl]propanoate; iron(2+)
MOLECULAR FORMULA: C34H30FeN4O4-2
MOLECULAR WEIGHT: 614.4714
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)[O-])CCC(=O)[O-])C)C(=C3C)C=C)C=C.[Fe+2]
Structure:
CAS RN: 178603-73-1
CAS Name: (4S)-4-[[(2S)-2-[[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-3-carboxy-1-oxopropyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-carboxy-propanoyl]amino]-5-[[(1S)-1-[[(1S)-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-but
MOLECULAR FORMULA: C28H42N6O12S
MOLECULAR WEIGHT: 686.73108
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
Structure:
CAS RN: 169332-60-9
CAS Name: (4S)-4-[[(2S)-2-acetamido-3-carboxy-1-oxopropyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-[[(2S)-2-acetamido-3-carboxy-propanoyl]amino]-5-[[(1S)-1-[[(1S)-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-3-methyl-1-[[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C20H30N4O11
MOLECULAR WEIGHT: 502.4724
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
Structure:
CAS RN: 26041-18-9
CAS Name: sulfur-35(2-)
OPENEYE Name: sulfur-35(2-)
IUPAC Name: sulfur-35(2-)
SYSTEMATIC NAME: sulfur-35(2-)
MOLECULAR FORMULA: S-2
MOLECULAR WEIGHT: 34.969032
SMILES: [35S-2]
Structure:
CAS RN: 52448-15-4
CAS Name: (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(5-chloro-1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(5-chloranyl-1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C11H11ClN2O2
MOLECULAR WEIGHT: 238.67024
SMILES: C1=CC2=C(C=C1Cl)C(=CN2)C[C@@H](C(=O)O)N
Structure:
CAS RN: 25197-99-3
CAS Name: (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(5-bromanyl-1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C11H11BrN2O2
MOLECULAR WEIGHT: 283.12124
SMILES: C1=CC2=C(C=C1Br)C(=CN2)C[C@@H](C(=O)O)N
Structure:
CAS RN: 546136-25-8
CAS Name: N4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N2-[(3-fluorophenyl)methyl]-6-(2,3,4,5,6-pentafluorophenoxy)-1,3,5-triazine-2,4-diamine
OPENEYE Name: N4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N2-[(3-fluorophenyl)methyl]-6-(2,3,4,5,6-pentafluorophenoxy)-1,3,5-triazine-2,4-diamine
IUPAC Name: 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-[(3-fluorophenyl)methyl]-6-(2,3,4,5,6-pentafluorophenoxy)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N4-[2-[2-(2-azanylethoxy)ethoxy]ethyl]-N2-[(3-fluorophenyl)methyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C22H22F6N6O3
MOLECULAR WEIGHT: 532.438899
SMILES: C1=CC(=CC(=C1)F)CNC2=NC(=NC(=N2)OC3=C(C(=C(C(=C3F)F)F)F)F)NCCOCCOCCN
Structure:
CAS RN: 744198-14-9
CAS Name: (2S)-2-acetamido-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]-3-phenylpropanamide
OPENEYE Name: (2S)-2-acetamido-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]-3-phenyl-propanamide
IUPAC Name: (2S)-2-acetamido-N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenylpropanamide
SYSTEMATIC NAME: (2S)-2-acetamido-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-phenyl-propanamide
MOLECULAR FORMULA: C15H18BrN3O3
MOLECULAR WEIGHT: 368.22572
SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC2CC(=NO2)Br
Structure:
CAS RN: 744198-18-3
CAS Name: N-[(2S)-1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-1-benzyl-2-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl-methyl-amino]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C22H24BrN3O4
MOLECULAR WEIGHT: 474.34766
SMILES: CN(CC1CC(=NO1)Br)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 744198-12-7
CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (3-bromo-4,5-dihydroisoxazol-5-yl)methyl ester
OPENEYE Name: (3-bromo-4,5-dihydroisoxazol-5-yl)methyl (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate
IUPAC Name: (3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SYSTEMATIC NAME: (3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
MOLECULAR FORMULA: C21H21BrN2O5
MOLECULAR WEIGHT: 461.30584
SMILES: C1C(ON=C1Br)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 744198-15-0
CAS Name: N-[(2R)-1-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1R)-1-benzyl-2-[(3-bromo-4,5-dihydroisoxazol-5-yl)methylamino]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2R)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2R)-1-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
MOLECULAR FORMULA: C21H22BrN3O4
MOLECULAR WEIGHT: 460.32108
SMILES: C1C(ON=C1Br)CNC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
Structure:
No comments:
Post a Comment