CAS RN: 88847-05-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C90H74O36
MOLECULAR WEIGHT: 1731.52896
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC(=C4[C@@H]5[C@H]([C@H](OC6=C5C(=CC(=C6[C@@H]7[C@H]([C@H](OC8=C(C(=CC(=C78)O)O)[C@@H]9[C@H]([C@H](OC1=C(C(=CC(=C91)O)O)[C@@H]1[C@H]([C@H](OC2=CC(=CC(=C12)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O
Structure:
CAS RN: 82203-01-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C82H54O52
MOLECULAR WEIGHT: 1871.27496
SMILES: C1[C@@H]2[C@H]([C@H]3[C@H]([C@H](O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C=C5C(=O)O[C@@H]6[C@H]7[C@H]([C@H]8[C@H](O6)COC(=O)C9=CC(=C(C(=C9C2=C(C(=C(C=C2C(=O)O8)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O7)O)O)O)O)O)O)O)O)O)O)O)OC(=O)C2=CC(=C(C(=C2C2=C
Structure:
CAS RN: 86168-78-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C149H246N44O42S
MOLECULAR WEIGHT: 3357.88214
SMILES: CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N
Structure:
CAS RN: 16960-16-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C136H210N40O31S
MOLECULAR WEIGHT: 2933.437
SMILES: CC(C)[C@@H](C(=O)NCC(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](
Structure:
CAS RN: 47931-85-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C145H240N44O48S2
MOLECULAR WEIGHT: 3431.8531
SMILES: CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC
Structure:
CAS RN: 135506-95-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C145H240N44O48S2
MOLECULAR WEIGHT: 3431.8531
SMILES: CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CO)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC
Structure:
CAS RN: 67824-38-8
CAS Name: (2S)-2-(chloromethyl)-1-methylpyrrolidine hydrochloride
OPENEYE Name: (2S)-2-(chloromethyl)-1-methyl-pyrrolidine hydrochloride
IUPAC Name: (2S)-2-(chloromethyl)-1-methylpyrrolidine hydrochloride
SYSTEMATIC NAME: (2S)-2-(chloromethyl)-1-methyl-pyrrolidine hydrochloride
MOLECULAR FORMULA: C6H13Cl2N
MOLECULAR WEIGHT: 170.08012
SMILES: CN1CCC[C@H]1CCl.Cl
Structure:
CAS RN: 936563-87-0
CAS Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-propen-1-one
OPENEYE Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidyl]prop-2-en-1-one
IUPAC Name: 1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
SYSTEMATIC NAME: 1-[3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
MOLECULAR FORMULA: C25H24N6O2
MOLECULAR WEIGHT: 440.49706
SMILES: C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N
Structure:
CAS RN: 869557-43-7
CAS Name: 3-bromo-5-fluoro-2-pyridinamine
OPENEYE Name: 3-bromo-5-fluoro-pyridin-2-amine
IUPAC Name: 3-bromo-5-fluoropyridin-2-amine
SYSTEMATIC NAME: 3-bromanyl-5-fluoranyl-pyridin-2-amine
MOLECULAR FORMULA: C5H4BrFN2
MOLECULAR WEIGHT: 191.001063
SMILES: C1=C(C=NC(=C1Br)N)F
Structure:
CAS RN: 869572-92-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H15F3N2O3
MOLECULAR WEIGHT: 376.32921
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F
Structure:
CAS RN: 816458-31-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H15F3N2O3
MOLECULAR WEIGHT: 376.32921
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F
Structure:
CAS RN: 935766-08-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H15F3N2O3
MOLECULAR WEIGHT: 376.32921
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F
Structure:
CAS RN: 935839-17-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H15F3N2O3
MOLECULAR WEIGHT: 376.32921
SMILES: C1[C@@H]2[C@H]1[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)NC(=O)C5=CC=C(C=C5)C(F)(F)F
Structure:
CAS RN: 662138-96-7
CAS Name: 6-phenyl-2-(2-pyridinyl)-1,3,6,2-dioxazaborocane
OPENEYE Name: 6-phenyl-2-(2-pyridyl)-1,3,6,2-dioxazaborocane
IUPAC Name: 6-phenyl-2-pyridin-2-yl-1,3,6,2-dioxazaborocane
SYSTEMATIC NAME: 6-phenyl-2-pyridin-2-yl-1,3,6,2-dioxazaborocane
MOLECULAR FORMULA: C15H17BN2O2
MOLECULAR WEIGHT: 268.11868
SMILES: B1(OCCN(CCO1)C2=CC=CC=C2)C3=CC=CC=N3
Structure:
CAS RN: 477535-41-4
CAS Name: 3-bromo-5-(trifluoromethyl)benzaldehyde
OPENEYE Name: 3-bromo-5-(trifluoromethyl)benzaldehyde
IUPAC Name: 3-bromo-5-(trifluoromethyl)benzaldehyde
SYSTEMATIC NAME: 3-bromanyl-5-(trifluoromethyl)benzaldehyde
MOLECULAR FORMULA: C8H4BrF3O
MOLECULAR WEIGHT: 253.01597
SMILES: C1=C(C=C(C=C1C(F)(F)F)Br)C=O
Structure:
CAS RN: 934537-52-7
CAS Name: N3-[(3-bromophenyl)methyl]pyridine-2,3-diamine
OPENEYE Name: N3-[(3-bromophenyl)methyl]pyridine-2,3-diamine
IUPAC Name: 3-N-[(3-bromophenyl)methyl]pyridine-2,3-diamine
SYSTEMATIC NAME: N3-[(3-bromophenyl)methyl]pyridine-2,3-diamine
MOLECULAR FORMULA: C12H12BrN3
MOLECULAR WEIGHT: 278.14778
SMILES: C1=CC(=CC(=C1)Br)CNC2=C(N=CC=C2)N
Structure:
CAS RN: 80638-53-5
CAS Name: 2-(butan-2-ylamino)-2-oxoacetic acid
OPENEYE Name: 2-oxo-2-(sec-butylamino)acetic acid
IUPAC Name: 2-(butan-2-ylamino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(butan-2-ylamino)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C6H11NO3
MOLECULAR WEIGHT: 145.15644
SMILES: CCC(C)NC(=O)C(=O)O
Structure:
CAS RN: 77654-61-6
CAS Name: 2-(2-methyl-1-piperidinyl)-2-oxoacetic acid
OPENEYE Name: 2-(2-methyl-1-piperidyl)-2-oxo-acetic acid
IUPAC Name: 2-(2-methylpiperidin-1-yl)-2-oxoacetic acid
SYSTEMATIC NAME: 2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: CC1CCCCN1C(=O)C(=O)O
Structure:
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