CAS RN: 154928-56-0
CAS Name: 4-[2-hydroxy-2-(4-hydroxyphenyl)propyl]phenol
OPENEYE Name: 4-[2-hydroxy-2-(4-hydroxyphenyl)propyl]phenol
IUPAC Name: 4-[2-hydroxy-2-(4-hydroxyphenyl)propyl]phenol
SYSTEMATIC NAME: 4-[2-(4-hydroxyphenyl)-2-oxidanyl-propyl]phenol
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CC(CC1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)O
Structure:
CAS RN: 163405-36-5
CAS Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]-1,2-benzoquinone
IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC(=O)C(=O)C=C2
Structure:
CAS RN: 79371-66-7
CAS Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]benzene-1,2-diol
OPENEYE Name: 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]benzene-1,2-diol
IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[2-(4-hydroxyphenyl)propan-2-yl]benzene-1,2-diol
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC(=C(C=C2)O)O
Structure:
CAS RN: 6073-11-6
CAS Name: 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: 2-bromo-4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
IUPAC Name: 2-bromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 2-bromanyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C15H15BrO2
MOLECULAR WEIGHT: 307.1824
SMILES: CC(C)(C1=CC=C(C=C1)O)C2=CC(=C(C=C2)O)Br
Structure:
CAS RN: 29426-78-6
CAS Name: 2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol
OPENEYE Name: 2-bromo-4-[1-(3-bromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol
IUPAC Name: 2-bromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol
SYSTEMATIC NAME: 2-bromanyl-4-[2-(3-bromanyl-4-oxidanyl-phenyl)propan-2-yl]phenol
MOLECULAR FORMULA: C15H14Br2O2
MOLECULAR WEIGHT: 386.07846
SMILES: CC(C)(C1=CC(=C(C=C1)O)Br)C2=CC(=C(C=C2)O)Br
Structure:
CAS RN: 199191-69-0
CAS Name: 5-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydroindol-2-one; methanesulfonic acid; trihydrate
OPENEYE Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-indolin-2-one; methanesulfonic acid; trihydrate
IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one; methanesulfonic acid; trihydrate
SYSTEMATIC NAME: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one; methanesulfonic acid; trihydrate
MOLECULAR FORMULA: C22H31ClN4O7S2
MOLECULAR WEIGHT: 563.08714
SMILES: CS(=O)(=O)O.C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.O.O
Structure:
CAS RN: 260779-88-2
CAS Name: 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide hydrate
OPENEYE Name: 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate
IUPAC Name: 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide hydrate
SYSTEMATIC NAME: 4-azanyl-5-chloranyl-N-[1-[3-(4-fluoranylphenoxy)propyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate
MOLECULAR FORMULA: C23H31ClFN3O5
MOLECULAR WEIGHT: 483.960743
SMILES: COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F.O
Structure:
CAS RN: 75898-90-7
CAS Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-one; 3-hydroxypropanoic acid
OPENEYE Name: 3-amino-5-(4-pyridyl)-1H-pyridin-2-one; 3-hydroxypropanoic acid
IUPAC Name: 3-amino-5-pyridin-4-yl-1H-pyridin-2-one; 3-hydroxypropanoic acid
SYSTEMATIC NAME: 3-azanyl-5-pyridin-4-yl-1H-pyridin-2-one; 3-oxidanylpropanoic acid
MOLECULAR FORMULA: C13H15N3O4
MOLECULAR WEIGHT: 277.2759
SMILES: C1=CN=CC=C1C2=CNC(=O)C(=C2)N.C(CO)C(=O)O
Structure:
CAS RN: 36592-77-5
CAS Name: acetic acid [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] ester hydrochloride
OPENEYE Name: [4-[2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethyl-phenyl] acetate hydrochloride
IUPAC Name: [4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] acetate hydrochloride
SYSTEMATIC NAME: [2,3,6-trimethyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] ethanoate hydrochloride
MOLECULAR FORMULA: C17H28ClNO4
MOLECULAR WEIGHT: 345.86152
SMILES: CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O.Cl
Structure:
CAS RN: 6533-68-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H28BrNO7
MOLECULAR WEIGHT: 438.31072
SMILES: CN1[C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.O.O.O.Br
Structure:
CAS RN: 6791-70-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H28BrNO7
MOLECULAR WEIGHT: 438.31072
SMILES: CN1[C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.O.O.O.Br
Structure:
CAS RN: 5908-99-6
CAS Name: 3-hydroxy-2-phenylpropanoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester; sulfuric acid; hydrate
OPENEYE Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate; sulfuric acid; hydrate
IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate; sulfuric acid; hydrate
SYSTEMATIC NAME: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate; sulfuric acid; hydrate
MOLECULAR FORMULA: C34H50N2O11S
MOLECULAR WEIGHT: 694.8326
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
Structure:
CAS RN: 6700-39-6
CAS Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; sulfuric acid; dihydrate
OPENEYE Name: 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol; sulfuric acid; dihydrate
IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; sulfuric acid; dihydrate
SYSTEMATIC NAME: 4-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,2-diol; sulfuric acid; dihydrate
MOLECULAR FORMULA: C22H40N2O12S
MOLECULAR WEIGHT: 556.6242
SMILES: CC(C)NCC(C1=CC(=C(C=C1)O)O)O.CC(C)NCC(C1=CC(=C(C=C1)O)O)O.O.O.OS(=O)(=O)O
Structure:
CAS RN: 7059-24-7
CAS Name: acetic acid [(2R,3S,4R,6S)-6-[[(6S,7S)-6-[[(2S,4R,5R,6R)-4-[[(2S,4R,5R,6R)-4-[[(2S,4S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyl-2-oxanyl]oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-5-hydroxy-6-methyl-2-oxanyl]oxy]-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopent
OPENEYE Name: [(2R,3S,4R,6S)-6-[[(6S,7S)-6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetoxy-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-[(1S,3S,4R)-3,4-dihydroxy-1-m
IUPAC Name: [(2R,3S,4R,6S)-6-[[(6S,7S)-6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-4,10-dihydroxy
SYSTEMATIC NAME: [(2R,3S,4R,6S)-6-[[(6S,7S)-6-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-7-[(1S,3S,4R)-1-methoxy-3,4-bis(oxidanyl)-2-oxidanylidene-p
MOLECULAR FORMULA: C57H82O26
MOLECULAR WEIGHT: 1183.24538
SMILES: C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)O[C@H]5C[C@H]([C@H]([C@H](O5)C)OC(=O)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)OC)O)O)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O)O[C@H]8C[C@]([C@H]([C@@H](O8
Structure:
CAS RN: 15771-29-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: Na2O5S2
MOLECULAR WEIGHT: 190.10654
SMILES: [O-]S(=O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 105979-17-7
CAS Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[(3R)-1-(phenylmethyl)-3-piperidinyl] ester
OPENEYE Name: O5-[(3R)-1-benzyl-3-piperidyl] O3-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-methyl O5-[(3R)-1-(phenylmethyl)piperidin-3-yl] (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C28H31N3O6
MOLECULAR WEIGHT: 505.56224
SMILES: CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 91599-74-5
CAS Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[(3R)-1-(phenylmethyl)-3-piperidinyl] ester hydrochloride
OPENEYE Name: O5-[(3R)-1-benzyl-3-piperidyl] O3-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC Name: 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
SYSTEMATIC NAME: O3-methyl O5-[(3R)-1-(phenylmethyl)piperidin-3-yl] (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
MOLECULAR FORMULA: C28H32ClN3O6
MOLECULAR WEIGHT: 542.02318
SMILES: CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
Structure:
CAS RN: 105993-05-3
CAS Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[(3R)-1-(phenylmethyl)-3-piperidinyl] ester hydrochloride
OPENEYE Name: O5-[(3R)-1-benzyl-3-piperidyl] O3-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC Name: 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
SYSTEMATIC NAME: O3-methyl O5-[(3R)-1-(phenylmethyl)piperidin-3-yl] (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
MOLECULAR FORMULA: C28H32ClN3O6
MOLECULAR WEIGHT: 542.02318
SMILES: CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
Structure:
CAS RN: 105826-92-4
CAS Name: 1H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester hydrochloride
OPENEYE Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate hydrochloride
IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate hydrochloride
SYSTEMATIC NAME: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate hydrochloride
MOLECULAR FORMULA: C17H21ClN2O2
MOLECULAR WEIGHT: 320.81384
SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl
Structure:
CAS RN: 5985-55-7
CAS Name: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride
OPENEYE Name: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride
IUPAC Name: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride
SYSTEMATIC NAME: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride
MOLECULAR FORMULA: C12H16ClNO3
MOLECULAR WEIGHT: 257.71334
SMILES: CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.Cl
Structure:
CAS RN: 6645-46-1
CAS Name: [(2R)-3-carboxy-2-hydroxypropyl]-trimethylammonium chloride
OPENEYE Name: [(2R)-3-carboxy-2-hydroxy-propyl]-trimethyl-ammonium chloride
IUPAC Name: [(2R)-3-carboxy-2-hydroxypropyl]-trimethylazanium chloride
SYSTEMATIC NAME: [(2R)-2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C7H16ClNO3
MOLECULAR WEIGHT: 197.65984
SMILES: C[N+](C)(C)C[C@@H](CC(=O)O)O.[Cl-]
Structure:
CAS RN: 79165-06-3
CAS Name: (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxan
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydr
IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-c
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxidanylidene-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(
MOLECULAR FORMULA: C42H68N2O16
MOLECULAR WEIGHT: 856.99312
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.N.N
Structure:
CAS RN: 488-41-5
CAS Name: (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol
OPENEYE Name: (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol
IUPAC Name: (2S,3S,4S,5S)-1,6-dibromohexane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2S,3S,4S,5S)-1,6-bis(bromanyl)hexane-2,3,4,5-tetrol
MOLECULAR FORMULA: C6H12Br2O4
MOLECULAR WEIGHT: 307.96508
SMILES: C([C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O)Br
Structure:
CAS RN: 4547-76-6
CAS Name: acetic acid [4-[(3S,4R)-4-(4-acetyloxyphenyl)hexan-3-yl]phenyl] ester
OPENEYE Name: [4-[(1S,2R)-2-(4-acetoxyphenyl)-1-ethyl-butyl]phenyl] acetate
IUPAC Name: [4-[(3S,4R)-4-(4-acetyloxyphenyl)hexan-3-yl]phenyl] acetate
SYSTEMATIC NAME: [4-[(3S,4R)-4-(4-acetyloxyphenyl)hexan-3-yl]phenyl] ethanoate
MOLECULAR FORMULA: C22H26O4
MOLECULAR WEIGHT: 354.43944
SMILES: CC[C@H](C1=CC=C(C=C1)OC(=O)C)[C@@H](CC)C2=CC=C(C=C2)OC(=O)C
Structure:
CAS RN: 4474-91-3
CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(3S)-1-[[(2S)-1-[(2S)-2-[[[(1S)-1-carboxy-2-phenylethyl]amino]-oxomethyl]-1-pyrrolidinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]
OPENEYE Name: (3S)-3-amino-4-[[(1S)-1-[[(1R)-1-[[(1S)-2-[[(2S)-1-[[(1S)-2-[(2S)-2-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]pyrrolidin-1-yl]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-met
IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methy
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2R)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amin
MOLECULAR FORMULA: C50H71N13O12
MOLECULAR WEIGHT: 1046.17864
SMILES: CC[C@H](C)C(C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 61853-30-3
CAS Name: 1-[(4-chlorophenyl)methyl]-2-(1-pyrrolidinylmethyl)benzimidazole; undecanoic acid
OPENEYE Name: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole; undecanoic acid
IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole; undecanoic acid
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole; undecanoic acid
MOLECULAR FORMULA: C30H42ClN3O2
MOLECULAR WEIGHT: 512.12638
SMILES: CCCCCCCCCCC(=O)O.C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 84366-81-4
CAS Name: disodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [5-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)-2,3,4-trihydroxypentyl] phosphate
OPENEYE Name: disodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] phosphate
IUPAC Name: disodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate
SYSTEMATIC NAME: disodium [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [5-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] phosphate
MOLECULAR FORMULA: C27H31N9Na2O15P2
MOLECULAR WEIGHT: 829.513402
SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O.[Na+].[Na+]
Structure:
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