CAS RN: 85414-26-2
CAS Name: (2S,3S,5R,6R)-3-[2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]ethylthio]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,3S,5R,6R)-3-[2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxy-1-methyl-ethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,3S,5R,6R)-3-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethylsulfanyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,5R,6R)-3-[2-[3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethylsulfanyl]-7-oxidanylidene-6-(2-oxidanylpropan-2-yl)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C21H35N3O8S
MOLECULAR WEIGHT: 489.5829
SMILES: CC(C)(CO)C(C(=O)NCCC(=O)NCCS[C@H]1C[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)C(C)(C)O)O
Structure:
CAS RN: 91762-98-0
CAS Name: (2S,3S,5R,6S)-3-[2-[[3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethylthio]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,3S,5R,6S)-3-[2-[3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,3S,5R,6S)-3-[2-[3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,5R,6S)-3-[2-[3-[[(2S)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C20H33N3O8S
MOLECULAR WEIGHT: 475.55632
SMILES: CC([C@@H]1[C@H]2C[C@@H]([C@@H](N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO)O)O
Structure:
CAS RN: 85414-25-1
CAS Name: (2S,3S,5R,6S)-3-[2-[[3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-1-oxopropyl]amino]ethylthio]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,3S,5R,6S)-3-[2-[3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,3S,5R,6S)-3-[2-[3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,5R,6S)-3-[2-[3-[[(2S)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C20H33N3O8S
MOLECULAR WEIGHT: 475.55632
SMILES: CC([C@@H]1[C@H]2C[C@@H]([C@@H](N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO)O)O
Structure:
CAS RN: 85386-84-1
CAS Name: 1-(3-fluoro-2-pyridinyl)piperazine
OPENEYE Name: 1-(3-fluoro-2-pyridyl)piperazine
IUPAC Name: 1-(3-fluoropyridin-2-yl)piperazine
SYSTEMATIC NAME: 1-(3-fluoranylpyridin-2-yl)piperazine
MOLECULAR FORMULA: C9H12FN3
MOLECULAR WEIGHT: 181.210083
SMILES: C1CN(CCN1)C2=C(C=CC=N2)F
Structure:
CAS RN: 91635-35-7
CAS Name: 1-(3-fluoro-2-pyridinyl)piperazine
OPENEYE Name: 1-(3-fluoro-2-pyridyl)piperazine
IUPAC Name: 1-(3-fluoropyridin-2-yl)piperazine
SYSTEMATIC NAME: 1-(3-fluoranylpyridin-2-yl)piperazine
MOLECULAR FORMULA: C9H12FN3
MOLECULAR WEIGHT: 181.210083
SMILES: C1CN(CCN1)C2=C(C=CC=N2)F
Structure:
CAS RN: 91560-85-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H21ClN2O
MOLECULAR WEIGHT: 292.80374
SMILES: CCCN1CCOC2[C@H]1CC3=CNC4=CC=CC2=C34.Cl
Structure:
CAS RN: 33693-84-4
CAS Name: 2-[(2-methylpropan-2-yl)oxy-oxomethyl]benzoic acid
OPENEYE Name: 2-tert-butoxycarbonylbenzoic acid
IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
SYSTEMATIC NAME: 2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C(=O)O
Structure:
CAS RN: 34062-03-8
CAS Name: 5-phenyl-6-propan-2-ylpyrimidine-2,4-diamine
OPENEYE Name: 6-isopropyl-5-phenyl-pyrimidine-2,4-diamine
IUPAC Name: 5-phenyl-6-propan-2-ylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-phenyl-6-propan-2-yl-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C13H16N4
MOLECULAR WEIGHT: 228.29294
SMILES: CC(C)C1=C(C(=NC(=N1)N)N)C2=CC=CC=C2
Structure:
CAS RN: 3457-13-4
CAS Name: (3S,8S,9S,10R,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
OPENEYE Name: (3S,8S,9S,10R,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
IUPAC Name: (3S,8S,9S,10R,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
SYSTEMATIC NAME: (3S,8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
MOLECULAR FORMULA: C21H30O3
MOLECULAR WEIGHT: 330.4611
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 32806-62-5
CAS Name: 2-propylpentanedioic acid
OPENEYE Name: 2-propylpentanedioic acid
IUPAC Name: 2-propylpentanedioic acid
SYSTEMATIC NAME: 2-propylpentanedioic acid
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CCCC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 31539-54-5
CAS Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenyl-2-benzimidazolyl]propanoic acid
OPENEYE Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenyl-benzimidazol-2-yl]propanoic acid
IUPAC Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[5-[bis(2-chloroethyl)amino]-1-phenyl-benzimidazol-2-yl]propanoic acid
MOLECULAR FORMULA: C20H22Cl2N4O2
MOLECULAR WEIGHT: 421.32028
SMILES: C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(CCCl)CCCl)N=C2CC(C(=O)O)N
Structure:
CAS RN: 32021-40-2
CAS Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenyl-2-benzimidazolyl]propanoic acid
OPENEYE Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenyl-benzimidazol-2-yl]propanoic acid
IUPAC Name: 2-amino-3-[5-[bis(2-chloroethyl)amino]-1-phenylbenzimidazol-2-yl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[5-[bis(2-chloroethyl)amino]-1-phenyl-benzimidazol-2-yl]propanoic acid
MOLECULAR FORMULA: C20H22Cl2N4O2
MOLECULAR WEIGHT: 421.32028
SMILES: C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(CCCl)CCCl)N=C2CC(C(=O)O)N
Structure:
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