CAS RN: 15414-82-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H44O11
MOLECULAR WEIGHT: 760.82426
SMILES: C[C@@H]1C[C@@H]([C@@H]([C@@]2(C13[C@@H]([C@@H]([C@H]([C@H]2OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(O3)(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
Structure:
CAS RN: 132368-08-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H25ClO6
MOLECULAR WEIGHT: 396.8619
SMILES: CC(C)[C@@]1([C@@H]([C@H]2[C@@]3(O2)[C@]4(CCC5=C([C@@H]4C[C@H]6[C@]3([C@@H]1O)O6)COC5=O)C)Cl)O
Structure:
CAS RN: 131998-54-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H42N6O6
MOLECULAR WEIGHT: 546.65898
SMILES: C[C@@H]1[C@H]2C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=N[C@@H]([C@H](O4)C)C(=O)N[C@H](C(=N2)O1)C(C)C)C(C)C)C(C)C
Structure:
CAS RN: 15332-51-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H42N6O6
MOLECULAR WEIGHT: 546.65898
SMILES: C[C@@H]1[C@H]2C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=N[C@@H]([C@H](O4)C)C(=O)N[C@H](C(=N2)O1)C(C)C)C(C)C)C(C)C
Structure:
CAS RN: 15332-52-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H42N6O6
MOLECULAR WEIGHT: 546.65898
SMILES: C[C@@H]1[C@H]2C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=N[C@@H]([C@H](O4)C)C(=O)N[C@H](C(=N2)O1)C(C)C)C(C)C)C(C)C
Structure:
CAS RN: 129297-22-9
CAS Name: 4-[3-[5-[5-[2-hydroxy-5-(1-hydroxypropyl)-3,5-dimethyl-2-oxolanyl]-3-methyl-2-oxolanyl]-5-methyl-2-oxolanyl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
OPENEYE Name: 4-[3-[5-[5-[2-hydroxy-5-(1-hydroxypropyl)-3,5-dimethyl-tetrahydrofuran-2-yl]-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid
IUPAC Name: 4-[3-[5-[5-[2-hydroxy-5-(1-hydroxypropyl)-3,5-dimethyloxolan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
SYSTEMATIC NAME: 4-[3-[5-[5-[3,5-dimethyl-2-oxidanyl-5-(1-oxidanylpropyl)oxolan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-7-methoxy-6,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid
MOLECULAR FORMULA: C37H64O11
MOLECULAR WEIGHT: 684.89746
SMILES: CCC(C1(CC(C(O1)(C2CC(C(O2)C3(CCC(O3)C4CCC5(O4)C(C(C(C(O5)C(C)C(C(C)C(=O)O)OC)C)OC)C)C)C)O)C)C)O
Structure:
CAS RN: 66733-09-3
CAS Name: 1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid
OPENEYE Name: 1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid
IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid
SYSTEMATIC NAME: 1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid
MOLECULAR FORMULA: C16H24O14
MOLECULAR WEIGHT: 440.35336
SMILES: C1COC(C(OCCOCCOC(C(OCCO1)C(=O)O)C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 1500-23-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18O7
MOLECULAR WEIGHT: 310.29922
SMILES: C[C@H]1[C@@H]2CC3([C@H](C(=O)C[C@]3(C14COC4=O)O)C)[C@H](C(=O)O2)O
Structure:
CAS RN: 150026-96-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18O7
MOLECULAR WEIGHT: 310.29922
SMILES: C[C@H]1[C@@H]2CC3([C@H](C(=O)C[C@]3(C14COC4=O)O)C)[C@H](C(=O)O2)O
Structure:
CAS RN: 1474-62-0
CAS Name: (4aR,6S,7R,7aS)-4-carbamoyl-6-hydroxy-2-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylic acid [(1-oxo-2-sulfamoylethyl)amino] ester
OPENEYE Name: [(2-sulfamoylacetyl)amino] (4aR,6S,7R,7aS)-4-carbamoyl-6-hydroxy-2-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylate
IUPAC Name: [(2-sulfamoylacetyl)amino] (4aR,6S,7R,7aS)-4-carbamoyl-6-hydroxy-2-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylate
SYSTEMATIC NAME: (2-sulfamoylethanoylamino) (4aR,6S,7R,7aS)-4-aminocarbonyl-2-methyl-6-oxidanyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylate
MOLECULAR FORMULA: C13H20N4O7S
MOLECULAR WEIGHT: 376.3855
SMILES: CN1C[C@H]2[C@@H](C[C@@H]([C@@H]2C(=O)ONC(=O)CS(=O)(=O)N)O)C(=C1)C(=O)N
Structure:
CAS RN: 1474-68-6
CAS Name: (4aR,6S,7R,7aS)-4-carbamoyl-6-hydroxy-2-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylic acid [(1-oxo-2-sulfamoylethyl)amino] ester
OPENEYE Name: [(2-sulfamoylacetyl)amino] (4aR,6S,7R,7aS)-4-carbamoyl-6-hydroxy-2-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylate
IUPAC Name: [(2-sulfamoylacetyl)amino] (4aR,6S,7R,7aS)-4-carbamoyl-6-hydroxy-2-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylate
SYSTEMATIC NAME: (2-sulfamoylethanoylamino) (4aR,6S,7R,7aS)-4-aminocarbonyl-2-methyl-6-oxidanyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-7-carboxylate
MOLECULAR FORMULA: C13H20N4O7S
MOLECULAR WEIGHT: 376.3855
SMILES: CN1C[C@H]2[C@@H](C[C@@H]([C@@H]2C(=O)ONC(=O)CS(=O)(=O)N)O)C(=C1)C(=O)N
Structure:
CAS RN: 14734-96-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H34O9
MOLECULAR WEIGHT: 490.54276
SMILES: CC(=O)O[C@@H]1C[C@@H](C[C@@]2(C13[C@@H](O[C@H]4C3C(CC2)[C@]5(CC[C@@H]([C@]5(C4)C)C6=COC(=O)C=C6)O)O)O)O
Structure:
CAS RN: 14735-76-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H34O9
MOLECULAR WEIGHT: 490.54276
SMILES: CC(=O)O[C@@H]1C[C@@H](C[C@@]2(C13[C@@H](O[C@H]4C3C(CC2)[C@]5(CC[C@@H]([C@]5(C4)C)C6=COC(=O)C=C6)O)O)O)O
Structure:
CAS RN: 125275-25-4
CAS Name: 2-(2-methyl-1-oxoprop-2-enoxy)ethyl 2-(trimethylammonio)ethyl phosphate; 2-methyl-2-propenoic acid butyl ester
OPENEYE Name: butyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: butyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C19H36NO8P
MOLECULAR WEIGHT: 437.464801
SMILES: CCCCOC(=O)C(=C)C.CC(=C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C
Structure:
CAS RN: 185836-95-7
CAS Name: 2-(2-methyl-1-oxoprop-2-enoxy)ethyl 2-(trimethylammonio)ethyl phosphate; 2-methyl-2-propenoic acid butyl ester
OPENEYE Name: butyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: butyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: butyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C19H36NO8P
MOLECULAR WEIGHT: 437.464801
SMILES: CCCCOC(=O)C(=C)C.CC(=C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C
Structure:
CAS RN: 14543-77-2
CAS Name: (2R)-2-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-1-[[(2S)-1-[(2S)-3-methyl-2-(methylamino)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid [(2S)-1-[(2S)-3-methoxy-5-oxo-2-(phenylmethyl)-2H-pyrrol-
OPENEYE Name: [(1S)-1-[(2S)-2-benzyl-3-methoxy-5-oxo-2H-pyrrole-1-carbonyl]-2-methyl-propyl] (2R)-2-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-1-[(2S)-1-[(2S)-3-methyl-2-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbox
IUPAC Name: [(2S)-1-[(2S)-2-benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2R)-2-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-1-[(2S)-1-[(2S)-3-methyl-2-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbox
SYSTEMATIC NAME: [(2S)-1-[(2S)-3-methoxy-5-oxidanylidene-2-(phenylmethyl)-2H-pyrrol-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl] (2R)-2-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-1-[(2S)-1-[(2S)-3-methyl-2-(methylamino)butanoyl]pyrrolidin-2
MOLECULAR FORMULA: C45H68N6O9
MOLECULAR WEIGHT: 837.05622
SMILES: CC(C)[C@@H](C(=O)[C@]1(CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC)C(=O)O[C@@H](C(C)C)C(=O)N3[C@H](C(=CC3=O)OC)CC4=CC=CC=C4)NC(=O)[C@H](C(C)C)N(C)C
Structure:
CAS RN: 123012-00-0
CAS Name: (3S,5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]-2-oxolanyl]-2-oxolanyl]undecyl]-3-(2-oxopropyl)-2-oxolanone
OPENEYE Name: (3S,5R)-3-acetonyl-5-[(11R)-11-hydroxy-11-[(5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]undecyl]tetrahydrofuran-2-one
IUPAC Name: (3S,5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
SYSTEMATIC NAME: (3S,5R)-3-(2-oxidanylidenepropyl)-5-[(11R)-11-oxidanyl-11-[(5R)-5-[(2R,5R)-5-[(1S)-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]oxolan-2-one
MOLECULAR FORMULA: C37H66O7
MOLECULAR WEIGHT: 622.91574
SMILES: CCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]2CCC(O2)[C@@H](CCCCCCCCCC[C@@H]3C[C@H](C(=O)O3)CC(=O)C)O)O
Structure:
CAS RN: 14413-05-9
CAS Name: (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
OPENEYE Name: (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
IUPAC Name: (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
SYSTEMATIC NAME: (4S,7S,13S)-13-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-tris(oxidanylidene)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
MOLECULAR FORMULA: C30H38ClN5O7S2
MOLECULAR WEIGHT: 680.23502
SMILES: CC1([C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(SS1)(C)C)C(=O)O)CC2=CC=C(C=C2)Cl)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)C
Structure:
CAS RN: 119347-24-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H48N2O10
MOLECULAR WEIGHT: 668.77372
SMILES: CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C
Structure:
CAS RN: 13908-99-1
CAS Name: (3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-carboxy-1-oxopropyl]amino]-4-methyl-1-oxopentoxy]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-(meth
OPENEYE Name: (3S)-4-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-5-amino-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]oxycarbonyl-pentyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-methylsulfa
IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]oxy-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-
SYSTEMATIC NAME: (3S)-4-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-6-azanyl-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]oxy-1-oxidanylidene-hexan-2-yl]amino]-1,4-bis(ox
MOLECULAR FORMULA: C46H77N13O15S
MOLECULAR WEIGHT: 1084.24668
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CN=CN1)N)NC(=O)[C@H](C(C)C)N
Structure:
CAS RN: 108863-62-3
CAS Name: 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-propoxyethyl) ester
OPENEYE Name: bis(2-propoxyethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: bis(2-propoxyethyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: bis(2-propoxyethyl) 4-[2-[bis(fluoranyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C26H35F2NO7
MOLECULAR WEIGHT: 511.555406
SMILES: CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OC(F)F)C(=O)OCCOCCC)C)C
Structure:
CAS RN: 115976-93-7
CAS Name: N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
OPENEYE Name: N-[(1S)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide
IUPAC Name: N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
SYSTEMATIC NAME: N-[(2S)-1-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide
MOLECULAR FORMULA: C23H41N5O3
MOLECULAR WEIGHT: 435.60334
SMILES: CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCNCCCCNCCCN
Structure:
CAS RN: 129-98-6
CAS Name: (2S)-2-methyl-4-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(5R)-5-[(1R)-1-hydroxypentadecyl]-2-oxolanyl]undecyl]-2H-furan-5-one
OPENEYE Name: (2S)-2-methyl-4-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(5R)-5-[(1R)-1-hydroxypentadecyl]tetrahydrofuran-2-yl]undecyl]-2H-furan-5-one
IUPAC Name: (2S)-2-methyl-4-[(2R,8R,11R)-2,8,11-trihydroxy-11-[(5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]undecyl]-2H-furan-5-one
SYSTEMATIC NAME: (2S)-2-methyl-4-[(2R,8R,11R)-2,8,11-tris(oxidanyl)-11-[(5R)-5-[(1R)-1-oxidanylpentadecyl]oxolan-2-yl]undecyl]-2H-furan-5-one
MOLECULAR FORMULA: C35H64O7
MOLECULAR WEIGHT: 596.87846
SMILES: CCCCCCCCCCCCCC[C@H]([C@H]1CCC(O1)[C@@H](CC[C@@H](CCCCC[C@H](CC2=C[C@@H](OC2=O)C)O)O)O)O
Structure:
CAS RN: 1253-90-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: CC1=C2C(=C3[C@@H]4[C@@H](O4)[C@H]([C@@H](C3=C1)O)O)C=CC5=CC=CC=C52
Structure:
CAS RN: 125379-00-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: CC1=C2C(=C3[C@@H]4[C@@H](O4)[C@H]([C@@H](C3=C1)O)O)C=CC5=CC=CC=C52
Structure:
CAS RN: 14993-24-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: C[C@@H]1[C@@H]([C@H]2C3=C(CCC[C@@H]3[C@@]14C[C@H](OC4=O)C5=COC=C5)C(=O)O2)O
Structure:
CAS RN: 149951-16-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: C[C@@H]1[C@@H]([C@H]2C3=C(CCC[C@@H]3[C@@]14C[C@H](OC4=O)C5=COC=C5)C(=O)O2)O
Structure:
CAS RN: 12519-36-7
CAS Name: zinc 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
OPENEYE Name: zinc 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
IUPAC Name: zinc 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
SYSTEMATIC NAME: zinc 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C10H12N2O8Zn-2
MOLECULAR WEIGHT: 353.61988
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Zn+2]
Structure:
CAS RN: 51159-39-8
CAS Name: zinc 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
OPENEYE Name: zinc 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
IUPAC Name: zinc 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
SYSTEMATIC NAME: zinc 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C10H12N2O8Zn-2
MOLECULAR WEIGHT: 353.61988
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Zn+2]
Structure:
CAS RN: 53762-08-6
CAS Name: zinc 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
OPENEYE Name: zinc 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
IUPAC Name: zinc 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
SYSTEMATIC NAME: zinc 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C10H12N2O8Zn-2
MOLECULAR WEIGHT: 353.61988
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Zn+2]
Structure:
CAS RN: 12217-64-0
CAS Name: tetrasodium 7-[4-[[[4-[(6,8-disulfonato-2-naphthalenyl)azo]-2-methoxy-5-methylanilino]-oxomethyl]amino]-5-methoxy-2-methylphenyl]azonaphthalene-1,3-disulfonate
OPENEYE Name: tetrasodium 7-[4-[[4-[(6,8-disulfonato-2-naphthyl)azo]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,3-disulfonate
IUPAC Name: tetrasodium 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate
SYSTEMATIC NAME: tetrasodium 7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]diazenyl]naphthalene-1,3-disulfonate
MOLECULAR FORMULA: C37H28N6Na4O15S4
MOLECULAR WEIGHT: 1016.8685
SMILES: CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 1258-84-0
CAS Name: (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
IUPAC Name: methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
SYSTEMATIC NAME: methyl (2R,4aS,6aR,6aS,14aS,14bR)-2,4a,6a,6a,9,14a-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
MOLECULAR FORMULA: C30H40O4
MOLECULAR WEIGHT: 464.6362
SMILES: CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)OC)C)C)C)C)O
Structure:
CAS RN: 1551-41-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H48O3S2
MOLECULAR WEIGHT: 520.83032
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4C5([C@@]3(CC[C@@H](C5)OC(=O)C)C)OC(=S)S4)C
Structure:
CAS RN: 15516-76-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H48O3S2
MOLECULAR WEIGHT: 520.83032
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]4C5([C@@]3(CC[C@@H](C5)OC(=O)C)C)OC(=S)S4)C
Structure:
CAS RN: 130728-76-6
CAS Name: 4-[[4-[bis(2-oxiranylmethyl)amino]-3-ethylphenyl]methyl]-2-ethyl-N,N-bis(2-oxiranylmethyl)aniline
OPENEYE Name: 4-[[4-[bis(oxiran-2-ylmethyl)amino]-3-ethyl-phenyl]methyl]-2-ethyl-N,N-bis(oxiran-2-ylmethyl)aniline
IUPAC Name: 4-[[4-[bis(oxiran-2-ylmethyl)amino]-3-ethylphenyl]methyl]-2-ethyl-N,N-bis(oxiran-2-ylmethyl)aniline
SYSTEMATIC NAME: 4-[[4-[bis(oxiran-2-ylmethyl)amino]-3-ethyl-phenyl]methyl]-2-ethyl-N,N-bis(oxiran-2-ylmethyl)aniline
MOLECULAR FORMULA: C29H38N2O4
MOLECULAR WEIGHT: 478.62302
SMILES: CCC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N(CC3CO3)CC4CO4)CC)N(CC5CO5)CC6CO6
Structure:
CAS RN: 14989-30-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: C1C2CC3CC(CC1N3CC2O)OC(=O)C4=CNC5=CC=CC=C54
Structure:
CAS RN: 123828-80-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H20N2
MOLECULAR WEIGHT: 264.3648
SMILES: CC1=CC2=C(C=C1)C3=C4N2C=C[C@@H]5[C@@H]4N(CCC5)CC3
Structure:
CAS RN: 119345-01-6
CAS Name: 1,1'-biphenyl; 2,4-ditert-butylphenol; trichlorophosphine
OPENEYE Name: biphenyl; 2,4-ditert-butylphenol; trichlorophosphane
IUPAC Name: 1,1'-biphenyl; 2,4-ditert-butylphenol; trichlorophosphane
SYSTEMATIC NAME: 1,1'-biphenyl; 2,4-ditert-butylphenol; tris(chloranyl)phosphane
MOLECULAR FORMULA: C26H32Cl3OP
MOLECULAR WEIGHT: 497.864441
SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl
Structure:
CAS RN: 118117-31-0
CAS Name: (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol
OPENEYE Name: (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol
IUPAC Name: (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol
SYSTEMATIC NAME: (3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-ol
MOLECULAR FORMULA: C30H48O2
MOLECULAR WEIGHT: 440.70092
SMILES: C[C@]12CC[C@@](C[C@H]1[C@@]3(CC=C4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)[C@]3(CC2)C)C)(C)CO
Structure:
CAS RN: 13840-94-3
CAS Name: (2S)-2-amino-3-[3-phenyl-5-(phosphonomethyl)phenyl]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[3-phenyl-5-(phosphonomethyl)phenyl]propanoic acid
IUPAC Name: (2S)-2-amino-3-[3-phenyl-5-(phosphonomethyl)phenyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[3-phenyl-5-(phosphonomethyl)phenyl]propanoic acid
MOLECULAR FORMULA: C16H18NO5P
MOLECULAR WEIGHT: 335.291581
SMILES: C1=CC=C(C=C1)C2=CC(=CC(=C2)CP(=O)(O)O)C[C@@H](C(=O)O)N
Structure:
CAS RN: 117333-18-3
CAS Name: 2,3-dibromo-7-iododibenzo-p-dioxin
OPENEYE Name: 2,3-dibromo-7-iodo-dibenzo-p-dioxin
IUPAC Name: 2,3-dibromo-7-iododibenzo-p-dioxin
SYSTEMATIC NAME: 2,3-bis(bromanyl)-7-iodanyl-dibenzo-p-dioxin
MOLECULAR FORMULA: C12H5Br2IO2
MOLECULAR WEIGHT: 467.87937
SMILES: C1=CC2=C(C=C1I)OC3=CC(=C(C=C3O2)Br)Br
Structure:
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