CAS RN: 83200-96-8
CAS Name: 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
OPENEYE Name: 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC Name: 7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: C1C=C(N2C1CC2=O)C(=O)O
Structure:
CAS RN: 87676-93-5
CAS Name: acetic acid [4-[3-[3-(4-acetyloxyphenyl)-3-methyl-2-oxiranyl]-2-methyl-2-oxiranyl]phenyl] ester
OPENEYE Name: [4-[3-[3-(4-acetoxyphenyl)-3-methyl-oxiran-2-yl]-2-methyl-oxiran-2-yl]phenyl] acetate
IUPAC Name: [4-[3-[3-(4-acetyloxyphenyl)-3-methyloxiran-2-yl]-2-methyloxiran-2-yl]phenyl] acetate
SYSTEMATIC NAME: [4-[3-[3-(4-acetyloxyphenyl)-3-methyl-oxiran-2-yl]-2-methyl-oxiran-2-yl]phenyl] ethanoate
MOLECULAR FORMULA: C22H22O6
MOLECULAR WEIGHT: 382.40648
SMILES: CC(=O)OC1=CC=C(C=C1)C2(C(O2)C3C(O3)(C)C4=CC=C(C=C4)OC(=O)C)C
Structure:
CAS RN: 82683-92-9
CAS Name: 3-bromocyclohexa-3,5-diene-1,2-diol
OPENEYE Name: 3-bromocyclohexa-3,5-diene-1,2-diol
IUPAC Name: 3-bromocyclohexa-3,5-diene-1,2-diol
SYSTEMATIC NAME: 3-bromanylcyclohexa-3,5-diene-1,2-diol
MOLECULAR FORMULA: C6H7BrO2
MOLECULAR WEIGHT: 191.02258
SMILES: C1=CC(C(C(=C1)Br)O)O
Structure:
CAS RN: 876-37-9
CAS Name: acetic acid [(8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-13-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl ester
OPENEYE Name: [(8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-13-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate
IUPAC Name: [(8R,9S,10S,13S,14S)-17-ethynyl-17-hydroxy-13-methyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate
SYSTEMATIC NAME: [(8R,9S,10S,13S,14S)-17-ethynyl-13-methyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl ethanoate
MOLECULAR FORMULA: C23H30O4
MOLECULAR WEIGHT: 370.4819
SMILES: CC(=O)OC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4(C#C)O)C
Structure:
CAS RN: 82668-32-4
CAS Name: 4,7-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
OPENEYE Name: 4,7-dimethoxy-N,N-dipropyl-indan-2-amine
IUPAC Name: 4,7-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SYSTEMATIC NAME: 4,7-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
MOLECULAR FORMULA: C17H27NO2
MOLECULAR WEIGHT: 277.40178
SMILES: CCCN(CCC)C1CC2=C(C=CC(=C2C1)OC)OC
Structure:
CAS RN: 113518-96-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H21NO9
MOLECULAR WEIGHT: 527.47834
SMILES: CC12CC3=C(C(=C4C(=C3)C=CC5=C4C(=O)C6=C(C5=O)OC7=CC(=C(C=C7C6=O)OC)OC)O)C(=O)N1CCO2
Structure:
CAS RN: 115088-46-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H21NO9
MOLECULAR WEIGHT: 527.47834
SMILES: CC12CC3=C(C(=C4C(=C3)C=CC5=C4C(=O)C6=C(C5=O)OC7=CC(=C(C=C7C6=O)OC)OC)O)C(=O)N1CCO2
Structure:
CAS RN: 71193-01-6
CAS Name: cyclohexyl(ethyl)carbamothioic S-acid
OPENEYE Name: cyclohexyl(ethyl)carbamothioic S-acid
IUPAC Name: cyclohexyl(ethyl)carbamothioic S-acid
SYSTEMATIC NAME: cyclohexyl(ethyl)carbamothioic S-acid
MOLECULAR FORMULA: C9H17NOS
MOLECULAR WEIGHT: 187.30238
SMILES: CCN(C1CCCCC1)C(=O)S
Structure:
CAS RN: 80983-30-8
CAS Name: N-[6-(2-hydroxypropylsulfonyl)-1H-benzimidazol-2-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-[6-(2-hydroxypropylsulfonyl)-1H-benzimidazol-2-yl]carbamate
IUPAC Name: methyl N-[6-(2-hydroxypropylsulfonyl)-1H-benzimidazol-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[6-(2-oxidanylpropylsulfonyl)-1H-benzimidazol-2-yl]carbamate
MOLECULAR FORMULA: C12H15N3O5S
MOLECULAR WEIGHT: 313.3296
SMILES: CC(CS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC)O
Structure:
CAS RN: 144088-29-9
CAS Name: 2-chloro-N-(2-chloroethyl)ethanamine; hydron; tin(4+); hexachloride
OPENEYE Name: stannic; 2-chloro-N-(2-chloroethyl)ethanamine; hydron; hexachloride
IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine; hydron; tin(4+); hexachloride
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)ethanamine; hydron; tin(4+); hexachloride
MOLECULAR FORMULA: C8H20Cl10N2Sn
MOLECULAR WEIGHT: 617.4978
SMILES: [H+].[H+].C(CCl)NCCCl.C(CCl)NCCCl.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4]
Structure:
CAS RN: 72487-32-2
CAS Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
OPENEYE Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]benzamide
IUPAC Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
SYSTEMATIC NAME: 2-oxidanyl-5-[(1R)-1-oxidanyl-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: C[C@H](CCC1=CC=CC=C1)NC[C@@H](C2=CC(=C(C=C2)O)C(=O)N)O
Structure:
CAS RN: 75659-07-3
CAS Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
OPENEYE Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]benzamide
IUPAC Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
SYSTEMATIC NAME: 2-oxidanyl-5-[(1R)-1-oxidanyl-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: C[C@H](CCC1=CC=CC=C1)NC[C@@H](C2=CC(=C(C=C2)O)C(=O)N)O
Structure:
CAS RN: 83167-31-1
CAS Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
OPENEYE Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]benzamide
IUPAC Name: 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
SYSTEMATIC NAME: 2-oxidanyl-5-[(1R)-1-oxidanyl-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: C[C@H](CCC1=CC=CC=C1)NC[C@@H](C2=CC(=C(C=C2)O)C(=O)N)O
Structure:
CAS RN: 98482-18-9
CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[(1R)-1-(carboxymethylcarbamoyl)-2-sulfanyl-butyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpentan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C12H21N3O6S
MOLECULAR WEIGHT: 335.37664
SMILES: CCC([C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)S
Structure:
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