CAS RN: 1093070-12-2
CAS Name: 2-ethyl-N-[(1R)-1-(2-naphthalenyl)ethyl]benzamide
OPENEYE Name: 2-ethyl-N-[(1R)-1-(2-naphthyl)ethyl]benzamide
IUPAC Name: 2-ethyl-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
SYSTEMATIC NAME: 2-ethyl-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
MOLECULAR FORMULA: C21H21NO
MOLECULAR WEIGHT: 303.39754
SMILES: CCC1=CC=CC=C1C(=O)N[C@H](C)C2=CC3=CC=CC=C3C=C2
CAS RN: 204200-47-5
CAS Name: (2R,4S,5R,6R)-5-acetamido-N-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-4-hydroxy-2-methoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarbox
OPENEYE Name: (2R,4S,5R,6R)-5-acetamido-N-[(3R,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-4-hydroxy-2-methoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-
IUPAC Name: (2R,4S,5R,6R)-5-acetamido-N-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-4-hydroxy-2-methoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carbox
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-acetamido-N-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-methoxy-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-c
MOLECULAR FORMULA: C39H68N2O8
MOLECULAR WEIGHT: 692.96582
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)NC(=O)[C@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)OC)C)C
CAS RN: 873857-62-6
CAS Name: 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoic acid [(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9Z,11S,12R,13E,15E,18S)-12-[[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methyl-1-oxopropoxy)-2-oxanyl]oxy]-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-ox
OPENEYE Name: [(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9Z,11S,12R,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)tetrahydropyran-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentae
IUPAC Name: [(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9Z,11S,12R,13E,15E,18S)-12-[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]meth
SYSTEMATIC NAME: [(2R,3S,4S,5S,6R)-6-[[(3E,5E,8S,9Z,11S,12R,13E,15E,18S)-12-[(2R,3S,4R,5S)-6,6-dimethyl-5-(2-methylpropanoyloxy)-3,4-bis(oxidanyl)oxan-2-yl]oxy-11-ethyl-9,13,15-trimethyl-8-oxidanyl-18-[(1R)-1-oxidanylethyl]-2-oxidanylidene-1-oxacyclooctadeca-3,5,9,13,15-p
MOLECULAR FORMULA: C52H74Cl2O18
MOLECULAR WEIGHT: 1058.03916
SMILES: CC[C@H]1/C=C(\[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)[C@@H](C)O)\CO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)/C
CAS RN: 194468-36-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C53H66F2N4O20
MOLECULAR WEIGHT: 1117.102746
SMILES: CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@H]7C[C@H](CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
CAS RN: 851606-62-7
CAS Name: 2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-6-[3-(2H-tetrazol-5-yl)phenyl]phenolate; 2-hydroxyethyl(trimethyl)ammonium
OPENEYE Name: 2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-6-[3-(2H-tetrazol-5-yl)phenyl]phenolate; 2-hydroxyethyl(trimethyl)ammonium
IUPAC Name: 2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-6-[3-(2H-tetrazol-5-yl)phenyl]phenolate; 2-hydroxyethyl(trimethyl)azanium
SYSTEMATIC NAME: 2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-6-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenolate; 2-hydroxyethyl(trimethyl)azanium
MOLECULAR FORMULA: C30H35N9O3
MOLECULAR WEIGHT: 569.6574
SMILES: CC1=C(C=C(C=C1)N2C(=O)C(C(=N2)C)N=NC3=CC=CC(=C3[O-])C4=CC(=CC=C4)C5=NNN=N5)C.C[N+](C)(C)CCO
CAS RN: 17162-39-9
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 3-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]phenol
MOLECULAR FORMULA: C13H19NO8
MOLECULAR WEIGHT: 317.29186
SMILES: CNC[C@@H](C1=CC(=CC=C1)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
CAS RN: 736178-83-9
CAS Name: (4S)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester; (2S)-2-hydroxybutanedioic acid
OPENEYE Name: O3-ethyl O5-methyl (4S)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; (2S)-2-hydroxybutanedioic acid
IUPAC Name: 3-O-ethyl 5-O-methyl (4S)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; (2S)-2-hydroxybutanedioic acid
SYSTEMATIC NAME: O3-ethyl O5-methyl (4S)-2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate; (2S)-2-oxidanylbutanedioic acid
MOLECULAR FORMULA: C24H31ClN2O10
MOLECULAR WEIGHT: 542.96334
SMILES: CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C([C@@H](C(=O)O)O)C(=O)O
CAS RN: 252188-71-9
CAS Name: sodium (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-3-[(E)-[1-[(3S)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy-oxomethyl]-3-pyrrolidinyl]-2-oxo-3-pyrrolidinylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-
OPENEYE Name: sodium (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-3-[(E)-[1-[(3S)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxo-pyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo
IUPAC Name: sodium (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-3-[(E)-[1-[(3S)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy
SYSTEMATIC NAME: sodium (6R,7R)-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-3-[(E)-[1-[(3S)-1-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxidanylidene-pyrrolidin-3-ylidene]methyl]-8-oxidanylidene-5-thia-1-a
MOLECULAR FORMULA: C26H25N8NaO11S2
MOLECULAR WEIGHT: 712.64347
SMILES: CC1=C(OC(=O)O1)COC(=O)N2CC[C@@H](C2)N3CC/C(=C\C4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=C/6\NSC(=N6)N)/N=O)SC4)C(=O)[O-])/C3=O.[Na+]
CAS RN: 209467-52-7
CAS Name: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-1-oxoethyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3S)-3-pyrrolidinyl]-3-pyrrolidinylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitroso-acetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3S)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-ylidene)-2-nitrosoacetyl]amino]-8-oxo-3-[(E)-[2-oxo-1-[(3S)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-ylidene)-2-nitroso-ethanoyl]amino]-8-oxidanylidene-3-[(E)-[2-oxidanylidene-1-[(3S)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C20H22N8O6S2
MOLECULAR WEIGHT: 534.56868
SMILES: C1CNC[C@H]1N2CC/C(=C\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=C/5\NSC(=N5)N)/N=O)SC3)C(=O)O)/C2=O
CAS RN: 293736-67-1
CAS Name: (7S,9S)-7-[[(2R,4R,5S,6S)-4-amino-6-methyl-5-phenylmethoxy-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
OPENEYE Name: (7S,9S)-7-[(2R,4R,5S,6S)-4-amino-5-benzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
IUPAC Name: (7S,9S)-7-[(2R,4R,5S,6S)-4-amino-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: (7S,9S)-7-[(2R,4R,5S,6S)-4-azanyl-6-methyl-5-phenylmethoxy-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C34H36ClNO11
MOLECULAR WEIGHT: 670.10274
SMILES: C[C@H]1[C@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)OCC6=CC=CC=C6.Cl
CAS RN: 20236-82-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24ClNO4
MOLECULAR WEIGHT: 377.86186
SMILES: CC(=O)OC1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C.Cl
CAS RN: 914453-96-6
CAS Name: acetic acid; (2S)-N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-19-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-10-(3-amino-3-oxopropyl)-16-[(4-hydroxyphenyl)methyl]
OPENEYE Name: acetic acid; (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloico
IUPAC Name: acetic acid; (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosa
SYSTEMATIC NAME: (2S)-N-[6-azanyl-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-hexan-2-yl]-1-[[(4R,7S,10S,13S,16S,19R)-19-[2-[2-(2-azanylethanoylamino)ethanoylamino]ethanoylamino]-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-16-[(4-
MOLECULAR FORMULA: C54H78N16O17S2
MOLECULAR WEIGHT: 1287.42412
SMILES: CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)NC(CCCCN)C(=O)NCC(=O)N
CAS RN: 2577-32-4
CAS Name: 4-amino-N-(6-methoxy-3-pyridazinyl)benzenesulfonamide; sodium
OPENEYE Name: 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; sodium
IUPAC Name: 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; sodium
SYSTEMATIC NAME: 4-azanyl-N-(6-methoxypyridazin-3-yl)benzenesulfonamide; sodium
MOLECULAR FORMULA: C11H12N4NaO3S
MOLECULAR WEIGHT: 303.29275
SMILES: COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N.[Na]
CAS RN: 210421-74-2
CAS Name: N-(4-chloro-3-methyl-5-isoxazolyl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)-1-oxoethyl]-3-thiophenesulfonamide; sodium
OPENEYE Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide; sodium
IUPAC Name: N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide; sodium
SYSTEMATIC NAME: N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)ethanoyl]thiophene-3-sulfonamide; sodium
MOLECULAR FORMULA: C18H15ClN2NaO6S2
MOLECULAR WEIGHT: 477.89427
SMILES: CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2.[Na]
CAS RN: 14897-39-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H47NNaO12
MOLECULAR WEIGHT: 720.75835
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C.[Na]
CAS RN: 38776-75-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N4NaO12
MOLECULAR WEIGHT: 845.92999
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C.[Na]
CAS RN: 16509-56-1
CAS Name: boric acid; (3S,4R)-3-ethyl-4-[(3-methyl-4-imidazolyl)methyl]-2-oxolanone
OPENEYE Name: boric acid; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one
IUPAC Name: boric acid; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
SYSTEMATIC NAME: boric acid; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
MOLECULAR FORMULA: C11H19BN2O5
MOLECULAR WEIGHT: 270.08996
SMILES: B(O)(O)O.CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C
CAS RN: 13998-27-1
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 3-[(1S)-2-(methylamino)-1-oxidanyl-ethyl]phenol
MOLECULAR FORMULA: C13H19NO8
MOLECULAR WEIGHT: 317.29186
SMILES: CNC[C@H](C1=CC(=CC=C1)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
CAS RN: 129-18-0
CAS Name: sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione
OPENEYE Name: sodium 4-butyl-1,2-diphenyl-pyrazolidin-4-ide-3,5-dione
IUPAC Name: sodium 4-butyl-1,2-diphenylpyrazolidin-4-ide-3,5-dione
SYSTEMATIC NAME: sodium 4-butyl-1,2-diphenyl-pyrazolidin-4-ide-3,5-dione
MOLECULAR FORMULA: C19H19N2NaO2
MOLECULAR WEIGHT: 330.35613
SMILES: CCCC[C-]1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.[Na+]
CAS RN: 808-71-9
CAS Name: 2-[[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]-oxomethoxy]ethyl-diethylammonium iodide
OPENEYE Name: 2-[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxyethyl-diethyl-ammonium iodide
IUPAC Name: 2-[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxyethyl-diethylazanium iodide
SYSTEMATIC NAME: 2-[[(2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonyloxy]ethyl-diethyl-azanium iodide
MOLECULAR FORMULA: C22H32IN3O4S
MOLECULAR WEIGHT: 561.47665
SMILES: CC[NH+](CC)CCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C.[I-]
CAS RN: 8053-65-4
CAS Name: 4-[(2R)-1-hydroxy-2-(methylamino)propyl]phenol hydrochloride
OPENEYE Name: 4-[(2R)-1-hydroxy-2-(methylamino)propyl]phenol hydrochloride
IUPAC Name: 4-[(2R)-1-hydroxy-2-(methylamino)propyl]phenol hydrochloride
SYSTEMATIC NAME: 4-[(2R)-2-(methylamino)-1-oxidanyl-propyl]phenol hydrochloride
MOLECULAR FORMULA: C10H16ClNO2
MOLECULAR WEIGHT: 217.69254
SMILES: C[C@H](C(C1=CC=C(C=C1)O)O)NC.Cl
CAS RN: 365-26-4
CAS Name: 4-[(2R)-1-hydroxy-2-(methylamino)propyl]phenol
OPENEYE Name: 4-[(2R)-1-hydroxy-2-(methylamino)propyl]phenol
IUPAC Name: 4-[(2R)-1-hydroxy-2-(methylamino)propyl]phenol
SYSTEMATIC NAME: 4-[(2R)-2-(methylamino)-1-oxidanyl-propyl]phenol
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: C[C@H](C(C1=CC=C(C=C1)O)O)NC
CAS RN: 32222-75-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H32BrN3O9
MOLECULAR WEIGHT: 634.47238
SMILES: CN1C[C@@H](C[C@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
CAS RN: 155319-91-8
CAS Name: 2-[2-[carboxylatomethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridinyl]methyl]amino]ethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridinyl]methyl]amino]acetate; hydron; manganese(2+)
OPENEYE Name: manganous; 2-[2-[carboxylatomethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridyl]methyl]amino]ethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)-4-pyridyl]methyl]amino]acetate; hydron
IUPAC Name: 2-[2-[carboxylatomethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]ethyl-[[2-methyl-3-oxido-5-(phosphonatooxymethyl)pyridin-4-yl]methyl]amino]acetate; hydron; manganese(2+)
SYSTEMATIC NAME: hydron; manganese(2+); 2-[[2-methyl-3-oxidanidyl-5-(phosphonatooxymethyl)pyridin-4-yl]methyl-[2-[[2-methyl-3-oxidanidyl-5-(phosphonatooxymethyl)pyridin-4-yl]methyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate
MOLECULAR FORMULA: C22H30MnN4O14P2
MOLECULAR WEIGHT: 691.377571
SMILES: [H+].[H+].[H+].[H+].[H+].[H+].CC1=NC=C(C(=C1[O-])CN(CCN(CC2=C(C(=NC=C2COP(=O)([O-])[O-])C)[O-])CC(=O)[O-])CC(=O)[O-])COP(=O)([O-])[O-].[Mn+2]
CAS RN: 302-31-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H44N2O12
MOLECULAR WEIGHT: 720.76216
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
CAS RN: 75821-71-5
CAS Name: calcium 2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]acetate
OPENEYE Name: calcium 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetate
IUPAC Name: calcium 2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetate
SYSTEMATIC NAME: calcium 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoate
MOLECULAR FORMULA: C34H24CaCl2N4O4
MOLECULAR WEIGHT: 663.56276
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)[O-].C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CC(=O)[O-].[Ca+2]
CAS RN: 5152-72-7
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid (6-amino-2-methylheptan-2-yl) ester
OPENEYE Name: (5-amino-1,1-dimethyl-hexyl) 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate
IUPAC Name: (6-amino-2-methylheptan-2-yl) 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
SYSTEMATIC NAME: (6-azanyl-2-methyl-heptan-2-yl) 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate
MOLECULAR FORMULA: C17H27N5O4
MOLECULAR WEIGHT: 365.42738
SMILES: CC(CCCC(C)(C)OC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C)N
CAS RN: 34212-83-4
CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid; sodium
OPENEYE Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid; sodium
IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid; sodium
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid; sodium
MOLECULAR FORMULA: C10H17N3NaO6S
MOLECULAR WEIGHT: 330.31325
SMILES: C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N.[Na]
CAS RN: 14999-43-0
CAS Name: (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; sulfuric acid
OPENEYE Name: (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol; sulfuric acid
IUPAC Name: (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol; sulfuric acid
SYSTEMATIC NAME: (3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol; sulfuric acid
MOLECULAR FORMULA: C12H28N2O14S
MOLECULAR WEIGHT: 456.42072
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)O.OS(=O)(=O)O
CAS RN: 52443-21-7
CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-N-[(3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
OPENEYE Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]-N-[(2R,3S,4R)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]acetamide
IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
SYSTEMATIC NAME: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]-N-[(3R,4S,5R)-3,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]ethanamide
MOLECULAR FORMULA: C25H27ClN2O8
MOLECULAR WEIGHT: 518.94348
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC(C=O)[C@H]([C@@H]([C@@H](CO)O)O)O
CAS RN: 135326-11-3
CAS Name: 2-[[2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate; gadolinium(3+); hydron
OPENEYE Name: 2-[[2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate; gadolinium(3+); hydron
IUPAC Name: 2-[[2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate; gadolinium(3+); hydron
SYSTEMATIC NAME: 2-[[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate; gadolinium(3+); hydron
MOLECULAR FORMULA: C23H30GdN3O11
MOLECULAR WEIGHT: 681.7478
SMILES: [H+].[H+].CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]
CAS RN: 193901-90-5
CAS Name: 2-[[2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidophosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate; gadolinium(3+); hydron
OPENEYE Name: 2-[[2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexoxy)-oxido-phosphoryl]oxy-propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate; gadolinium(3+); hydron
IUPAC Name: 2-[[2-[bis(carboxylatomethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidophosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate; gadolinium(3+); hydron
SYSTEMATIC NAME: 2-[[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-3-[(4,4-diphenylcyclohexyl)oxy-oxidanidyl-phosphoryl]oxy-propyl]-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate; gadolinium(3+); hydron
MOLECULAR FORMULA: C33H41GdN3O14P
MOLECULAR WEIGHT: 891.914101
SMILES: [H+].[H+].[H+].C1CC(CCC1OP(=O)([O-])OCC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])(C2=CC=CC=C2)C3=CC=CC=C3.[Gd+3]
CAS RN: 16391-75-6
CAS Name: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-heptenoic acid; 2-(2-hydroxyethylamino)ethanol
OPENEYE Name: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid; 2-(2-hydroxyethylamino)ethanol
IUPAC Name: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid; 2-(2-hydroxyethylamino)ethanol
SYSTEMATIC NAME: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid; 2-(2-hydroxyethylamino)ethanol
MOLECULAR FORMULA: C35H59NO8
MOLECULAR WEIGHT: 621.84486
SMILES: C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C.C(CO)NCCO
CAS RN: 36499-65-7
CAS Name: 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate; cobalt; cobalt(2+)
OPENEYE Name: cobaltous; 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate; cobalt
IUPAC Name: 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate; cobalt; cobalt(2+)
SYSTEMATIC NAME: cobalt; cobalt(2+); 2-[2-hydroxy-2-oxoethyl-[2-[2-hydroxy-2-oxoethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate
MOLECULAR FORMULA: C10H14Co2N2O8
MOLECULAR WEIGHT: 408.09316
SMILES: C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Co].[Co+2]
CAS RN: 84824-87-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N2O3S
MOLECULAR WEIGHT: 360.47046
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](CC4)O.C(#N)S
CAS RN: 88170-10-9
CAS Name: calcium 2-[2-(2,6-dichloroanilino)phenyl]acetate
OPENEYE Name: calcium 2-[2-(2,6-dichloroanilino)phenyl]acetate
IUPAC Name: calcium 2-[2-(2,6-dichloroanilino)phenyl]acetate
SYSTEMATIC NAME: calcium 2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoate
MOLECULAR FORMULA: C28H20CaCl4N2O4
MOLECULAR WEIGHT: 630.3594
SMILES: C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Ca+2]
CAS RN: 32808-09-6
CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; sulfuric acid
OPENEYE Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; sulfuric acid
IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; sulfuric acid
SYSTEMATIC NAME: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; sulfuric acid
MOLECULAR FORMULA: C40H44N2O12S
MOLECULAR WEIGHT: 776.84856
SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.OS(=O)(=O)O
CAS RN: 26570-10-5
CAS Name: 2-naphthalenesulfonic acid; propanoic acid [(2S,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester; hydrate
OPENEYE Name: [(1S,2S)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; naphthalene-2-sulfonic acid; hydrate
IUPAC Name: [(2S,3S)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; naphthalene-2-sulfonic acid; hydrate
SYSTEMATIC NAME: [(2S,3S)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; naphthalene-2-sulfonic acid; hydrate
MOLECULAR FORMULA: C32H39NO6S
MOLECULAR WEIGHT: 565.72016
SMILES: CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.O
CAS RN: 117268-95-8
CAS Name: N-[(3S,4R)-1-[2-(4-ethyl-5-oxo-1-tetrazolyl)ethyl]-3-methyl-4-piperidinyl]-N-(2-fluorophenyl)-2-methoxyacetamide hydrochloride
OPENEYE Name: N-[(3S,4R)-1-[2-(4-ethyl-5-oxo-tetrazol-1-yl)ethyl]-3-methyl-4-piperidyl]-N-(2-fluorophenyl)-2-methoxy-acetamide hydrochloride
IUPAC Name: N-[(3S,4R)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methylpiperidin-4-yl]-N-(2-fluorophenyl)-2-methoxyacetamide hydrochloride
SYSTEMATIC NAME: N-[(3S,4R)-1-[2-(4-ethyl-5-oxidanylidene-1,2,3,4-tetrazol-1-yl)ethyl]-3-methyl-piperidin-4-yl]-N-(2-fluorophenyl)-2-methoxy-ethanamide hydrochloride
MOLECULAR FORMULA: C20H30ClFN6O3
MOLECULAR WEIGHT: 456.942003
SMILES: CCN1C(=O)N(N=N1)CCN2CC[C@H]([C@H](C2)C)N(C3=CC=CC=C3F)C(=O)COC.Cl
No comments:
Post a Comment