CAS RN: 72943-42-1
CAS Name: 1-[(2,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
OPENEYE Name: 1-[(2,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
IUPAC Name: 1-[(2,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
SYSTEMATIC NAME: 1-[(2,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
MOLECULAR FORMULA: C19H24ClNO5
MOLECULAR WEIGHT: 381.85056
SMILES: COC1=CC(=C(C=C1CC2C3=CC(=C(C=C3CCN2)O)O)OC)OC.Cl
Structure:
CAS RN: 83118-65-4
CAS Name: N,N-diethyl-2-(1-pyridin-1-iumyl)ethanamine bromide hydrobromide
OPENEYE Name: N,N-diethyl-2-pyridin-1-ium-1-yl-ethanamine bromide hydrobromide
IUPAC Name: N,N-diethyl-2-pyridin-1-ium-1-ylethanamine bromide hydrobromide
SYSTEMATIC NAME: N,N-diethyl-2-pyridin-1-ium-1-yl-ethanamine bromide hydrobromide
MOLECULAR FORMULA: C11H20Br2N2
MOLECULAR WEIGHT: 340.0979
SMILES: CCN(CC)CC[N+]1=CC=CC=C1.Br.[Br-]
Structure:
CAS RN: 149859-17-6
CAS Name: (2S)-N-[(2S)-3-methyl-2-[[[4-[4-morpholinyl(oxo)methyl]phenyl]-oxomethyl]amino]-1-oxobutyl]-1-(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[(2S)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-1-(3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[(2S)-3-methyl-2-[[4-(morpholine-4-carbonyl)benzoyl]amino]butanoyl]-1-(5,5,6,6,6-pentafluoro-2-methyl-4-oxohexan-3-yl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[(2S)-3-methyl-2-[(4-morpholin-4-ylcarbonylphenyl)carbonylamino]butanoyl]-1-[5,5,6,6,6-pentakis(fluoranyl)-2-methyl-4-oxidanylidene-hexan-3-yl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C29H37F5N4O6
MOLECULAR WEIGHT: 632.619296
SMILES: CC(C)[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(C(C)C)C(=O)C(C(F)(F)F)(F)F)NC(=O)C2=CC=C(C=C2)C(=O)N3CCOCC3
Structure:
CAS RN: 149849-88-7
CAS Name: 2-(azido-iodo-phenoxymethyl)-4,5-dihydro-1H-imidazole
OPENEYE Name: 2-(azido-iodo-phenoxy-methyl)-4,5-dihydro-1H-imidazole
IUPAC Name: 2-(azido-iodo-phenoxymethyl)-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-(azido-iodanyl-phenoxy-methyl)-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C10H10IN5O
MOLECULAR WEIGHT: 343.12377
SMILES: C1CN=C(N1)C(N=[N+]=[N-])(OC2=CC=CC=C2)I
Structure:
CAS RN: 149838-21-1
CAS Name: 2-[3-(2,6-dimethyl-1-piperazinyl)phenyl]-2-phenylpentanamide
OPENEYE Name: 2-[3-(2,6-dimethylpiperazin-1-yl)phenyl]-2-phenyl-pentanamide
IUPAC Name: 2-[3-(2,6-dimethylpiperazin-1-yl)phenyl]-2-phenylpentanamide
SYSTEMATIC NAME: 2-[3-(2,6-dimethylpiperazin-1-yl)phenyl]-2-phenyl-pentanamide
MOLECULAR FORMULA: C23H31N3O
MOLECULAR WEIGHT: 365.51174
SMILES: CCCC(C1=CC=CC=C1)(C2=CC(=CC=C2)N3C(CNCC3C)C)C(=O)N
Structure:
CAS RN: 150034-24-5
CAS Name: 2-[3-(2,6-dimethyl-1-piperazinyl)phenyl]-2-phenylpentanamide
OPENEYE Name: 2-[3-(2,6-dimethylpiperazin-1-yl)phenyl]-2-phenyl-pentanamide
IUPAC Name: 2-[3-(2,6-dimethylpiperazin-1-yl)phenyl]-2-phenylpentanamide
SYSTEMATIC NAME: 2-[3-(2,6-dimethylpiperazin-1-yl)phenyl]-2-phenyl-pentanamide
MOLECULAR FORMULA: C23H31N3O
MOLECULAR WEIGHT: 365.51174
SMILES: CCCC(C1=CC=CC=C1)(C2=CC(=CC=C2)N3C(CNCC3C)C)C(=O)N
Structure:
CAS RN: 149759-96-6
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methylbutyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-3-methyl-butyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylbutyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-butyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid
MOLECULAR FORMULA: C22H38N4O3S2
MOLECULAR WEIGHT: 470.69212
SMILES: CC(C)[C@@H](CN[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C(=O)O)NC[C@H](CS)N
Structure:
CAS RN: 149471-11-4
CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]a
OPENEYE Name: (3S)-3-amino-4-[[(1S)-1-[[(1S)-3-amino-1-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]-4-guanidino-butyl]amino]-4-oxo-bu
IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]a
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S)-1-[[(2S)-4-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanyliden
MOLECULAR FORMULA: C44H67N15O10
MOLECULAR WEIGHT: 966.09728
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 149453-95-2
CAS Name: (3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxy-1-cyclohexenecarboxylic acid
OPENEYE Name: (3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid
IUPAC Name: (3R,4S,5R)-5-[carboxymethyl(phosphonomethyl)amino]-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid
SYSTEMATIC NAME: (3R,4S,5R)-5-[2-hydroxy-2-oxoethyl(phosphonomethyl)amino]-4-oxidanyl-3-phosphonooxy-cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C10H17NO12P2
MOLECULAR WEIGHT: 405.189002
SMILES: C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)N(CC(=O)O)CP(=O)(O)O
Structure:
CAS RN: 83058-94-0
CAS Name: 5-(1,3-benzoxazol-2-yl)-3H-1,3,4-oxadiazol-2-one
OPENEYE Name: 5-(1,3-benzoxazol-2-yl)-3H-1,3,4-oxadiazol-2-one
IUPAC Name: 5-(1,3-benzoxazol-2-yl)-3H-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-(1,3-benzoxazol-2-yl)-3H-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C9H5N3O3
MOLECULAR WEIGHT: 203.1543
SMILES: C1=CC=C2C(=C1)N=C(O2)C3=NNC(=O)O3
Structure:
CAS RN: 83058-91-7
CAS Name: 5-(3-chloro-1-benzothiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
OPENEYE Name: 5-(3-chlorobenzothiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
IUPAC Name: 5-(3-chloro-1-benzothiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-(3-chloranyl-1-benzothiophen-2-yl)-3H-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C10H5ClN2O2S
MOLECULAR WEIGHT: 252.6769
SMILES: C1=CC=C2C(=C1)C(=C(S2)C3=NNC(=O)O3)Cl
Structure:
CAS RN: 83046-54-2
CAS Name: (2S)-2-amino-3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanoic acid
IUPAC Name: (2S)-2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-propanoic acid
MOLECULAR FORMULA: C9H17NO8
MOLECULAR WEIGHT: 267.23318
SMILES: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H](C(=O)O)N)O)O)O)O
Structure:
CAS RN: 149309-76-2
CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-3-(1-naphthalenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]hexanoic a
OPENEYE Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1-naphthyl)propanoyl]amino]hexanoyl]amino]hexanoic acid
IUPAC Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]hexanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-naphthalen-1-yl-propanoyl]amino]hexanoyl]amino]hexanoic ac
MOLECULAR FORMULA: C43H73N15O7
MOLECULAR WEIGHT: 912.13602
SMILES: C1=CC=C2C(=C1)C=CC=C2C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)N
Structure:
CAS RN: 149309-75-1
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-4-carboxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-4-carboxy-butanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-6-azanyl-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C31H54N8O13
MOLECULAR WEIGHT: 746.80626
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)O
Structure:
CAS RN: 149017-68-5
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]-4-meth
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diam
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]a
MOLECULAR FORMULA: C51H100N22O11
MOLECULAR WEIGHT: 1197.4805
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)N)O
Structure:
CAS RN: 17035-90-4
CAS Name: (2S)-2-amino-5-[[amino(methylimino)methyl]amino]pentanoic acid
OPENEYE Name: (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
IUPAC Name: (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
MOLECULAR FORMULA: C7H16N4O2
MOLECULAR WEIGHT: 188.22754
SMILES: CN=C(N)NCCC[C@@H](C(=O)O)N
Structure:
CAS RN: 148965-72-4
CAS Name: methanesulfonic acid [3-[[1-methyl-5-[[[1-methyl-5-[oxo(propylamino)methyl]-3-pyrrolyl]amino]-oxomethyl]-3-pyrrolyl]amino]-3-oxopropyl] ester
OPENEYE Name: [3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-3-oxo-propyl] methanesulfonate
IUPAC Name: [3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-3-oxopropyl] methanesulfonate
SYSTEMATIC NAME: [3-[[1-methyl-5-[[1-methyl-5-(propylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]amino]-3-oxidanylidene-propyl] methanesulfonate
MOLECULAR FORMULA: C19H27N5O6S
MOLECULAR WEIGHT: 453.51258
SMILES: CCCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CCOS(=O)(=O)C
Structure:
CAS RN: 148942-72-7
CAS Name: 6-(bromomethyl)-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 6-(bromomethyl)-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 6-(bromomethyl)-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 6-(bromomethyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C21H13BrO5
MOLECULAR WEIGHT: 425.22892
SMILES: C1=CC2=C(C=C1CBr)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
Structure:
CAS RN: 148927-60-0
CAS Name: (2S)-2-amino-N-[(1R,4S)-7,7-dimethyl-4-[[4-(2-methylphenyl)-1-piperazinyl]sulfonylmethyl]-3-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide
OPENEYE Name: (2S)-2-amino-N-[(1S,4R)-7,7-dimethyl-1-[[4-(o-tolyl)piperazin-1-yl]sulfonylmethyl]norbornan-2-yl]-4-methylsulfonyl-butanamide
IUPAC Name: (2S)-2-amino-N-[(1R,4S)-7,7-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-3-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(1R,4S)-7,7-dimethyl-4-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-3-bicyclo[2.2.1]heptanyl]-4-methylsulfonyl-butanamide
MOLECULAR FORMULA: C26H42N4O5S2
MOLECULAR WEIGHT: 554.76548
SMILES: CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C[C@@]34CC[C@@H](C3(C)C)CC4NC(=O)[C@H](CCS(=O)(=O)C)N
Structure:
CAS RN: 73154-76-4
CAS Name: (2R)-2-acetamido-3-[(2-hydroxycyclohexyl)thio]propanoic acid methyl ester
OPENEYE Name: methyl (2R)-2-acetamido-3-(2-hydroxycyclohexyl)sulfanyl-propanoate
IUPAC Name: methyl (2R)-2-acetamido-3-(2-hydroxycyclohexyl)sulfanylpropanoate
SYSTEMATIC NAME: methyl (2R)-2-acetamido-3-(2-oxidanylcyclohexyl)sulfanyl-propanoate
MOLECULAR FORMULA: C12H21NO4S
MOLECULAR WEIGHT: 275.36444
SMILES: CC(=O)N[C@@H](CSC1CCCCC1O)C(=O)OC
Structure:
CAS RN: 148832-07-9
CAS Name: 4-benzoylbenzoic acid 1,3-bis[[(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]oxy]propan-2-yl ester
OPENEYE Name: [2-[(1S,2R,3R)-2,3,4-trihydroxy-1-[(1R)-1-hydroxy-2-oxo-ethyl]butoxy]-1-[[(1S,2R,3R)-2,3,4-trihydroxy-1-[(1R)-1-hydroxy-2-oxo-ethyl]butoxy]methyl]ethyl] 4-benzoylbenzoate
IUPAC Name: 1,3-bis[[(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]oxy]propan-2-yl 4-benzoylbenzoate
SYSTEMATIC NAME: 1,3-bis[[(2R,3S,4R,5R)-2,4,5,6-tetrakis(oxidanyl)-1-oxidanylidene-hexan-3-yl]oxy]propan-2-yl 4-(phenylcarbonyl)benzoate
MOLECULAR FORMULA: C29H36O15
MOLECULAR WEIGHT: 624.58714
SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC(CO[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O)CO[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)O
Structure:
CAS RN: 82864-21-9
CAS Name: (2R)-5-amino-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-(1-oxohexadecylamino)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid
OPENEYE Name: (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-(hexadecanoylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2R)-5-amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-(hexadecanoylamino)-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2R)-5-azanyl-2-[[(2S)-2-[2-[(2R,3S,4R,5R,6S)-5-(hexadecanoylamino)-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C33H60N4O11
MOLECULAR WEIGHT: 688.8497
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N)C(=O)O
Structure:
CAS RN: 148832-06-8
CAS Name: (2R,5S)-5-amino-2-[(2S)-2-amino-3-hydroxy-1-oxopropyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-phosphonoamino]-4-oxo-3-phosphonohexanoic acid
OPENEYE Name: (2R,5S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]-phosphono-amino]-2-[(2S)-2-amino-3-hydroxy-propanoyl]-4-oxo-3-phosphono-hexanoic acid
IUPAC Name: (2R,5S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]-phosphonoamino]-2-[(2S)-2-amino-3-hydroxypropanoyl]-4-oxo-3-phosphonohexanoic acid
SYSTEMATIC NAME: (2R,5S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]-phosphono-amino]-2-[(2S)-2-azanyl-3-oxidanyl-propanoyl]-4-oxidanylidene-3-phosphono-hexanoic acid
MOLECULAR FORMULA: C21H33N5O15P2
MOLECULAR WEIGHT: 657.458742
SMILES: C[C@@H](C(=O)C([C@@](C(=O)[C@H](CO)N)(C(=O)O)N(C(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)N)P(=O)(O)O)P(=O)(O)O)N
Structure:
CAS RN: 148731-67-3
CAS Name: 2-chloroacetic acid [(7S)-7-acetamido-1,3-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] ester
OPENEYE Name: [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] 2-chloroacetate
IUPAC Name: [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-2-yl] 2-chloroacetate
SYSTEMATIC NAME: [(7S)-7-acetamido-1,3-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-2-yl] 2-chloranylethanoate
MOLECULAR FORMULA: C23H24ClNO6S
MOLECULAR WEIGHT: 477.95776
SMILES: CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC(=O)CCl)OC
Structure:
CAS RN: 148731-66-2
CAS Name: 2-chloroacetic acid [(7S)-7-acetamido-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] ester
OPENEYE Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-chloroacetate
IUPAC Name: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-chloroacetate
SYSTEMATIC NAME: [(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl] 2-chloranylethanoate
MOLECULAR FORMULA: C23H24ClNO6S
MOLECULAR WEIGHT: 477.95776
SMILES: CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC(=O)CCl
Structure:
CAS RN: 148727-09-7
CAS Name: 7-methoxy-8-[3-(4-phenyl-1-piperazinyl)propoxy]-1-benzopyran-2-one
OPENEYE Name: 7-methoxy-8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
IUPAC Name: 7-methoxy-8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
SYSTEMATIC NAME: 7-methoxy-8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
MOLECULAR FORMULA: C23H26N2O4
MOLECULAR WEIGHT: 394.46354
SMILES: COC1=C(C2=C(C=C1)C=CC(=O)O2)OCCCN3CCN(CC3)C4=CC=CC=C4
Structure:
CAS RN: 148700-85-0
CAS Name: (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
OPENEYE Name: (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-piperidine
IUPAC Name: (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
SYSTEMATIC NAME: (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-piperidine
MOLECULAR FORMULA: C20H19F6NO
MOLECULAR WEIGHT: 403.361379
SMILES: C1C[C@@H]([C@@H](NC1)C2=CC=CC=C2)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 148608-53-1
CAS Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-5-pyrimidinecarboxaldehyde
OPENEYE Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidine-5-carbaldehyde
IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 4-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C10H13N3O6
MOLECULAR WEIGHT: 271.22672
SMILES: C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C=O
Structure:
CAS RN: 148608-52-0
CAS Name: 2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide
OPENEYE Name: 2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxamidine
IUPAC Name: 2-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide
SYSTEMATIC NAME: 2-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide
MOLECULAR FORMULA: C12H16N6O5
MOLECULAR WEIGHT: 324.29264
SMILES: C1=C(C2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N)C(=N)N
Structure:
CAS RN: 148504-51-2
CAS Name: 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
OPENEYE Name: 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
IUPAC Name: 5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
SYSTEMATIC NAME: 5-methyl-7-propyl-8-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
MOLECULAR FORMULA: C23H22N8O
MOLECULAR WEIGHT: 426.47378
SMILES: CCCC1=C(C2=NC(=O)NN2C(=N1)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
Structure:
CAS RN: 148451-96-1
CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester
OPENEYE Name: [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C22H18F6N2O3
MOLECULAR WEIGHT: 472.380339
SMILES: CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 148436-63-9
CAS Name: 7-[(1R,2S)-2-[4-(1-hydroxyhexyl)phenyl]-5-oxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[(1R,2S)-2-[4-(1-hydroxyhexyl)phenyl]-5-oxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[(1R,2S)-2-[4-(1-hydroxyhexyl)phenyl]-5-oxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[(1R,2S)-2-[4-(1-oxidanylhexyl)phenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C24H36O4
MOLECULAR WEIGHT: 388.54024
SMILES: CCCCCC(C1=CC=C(C=C1)[C@H]2CCC(=O)[C@@H]2CCCCCCC(=O)O)O
Structure:
CAS RN: 148436-13-9
CAS Name: 4-(aminomethyl)-1-(4-methoxyphenyl)-2-pyrrolidinone
OPENEYE Name: 4-(aminomethyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
IUPAC Name: 4-(aminomethyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
SYSTEMATIC NAME: 4-(aminomethyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: COC1=CC=C(C=C1)N2CC(CC2=O)CN
Structure:
CAS RN: 148436-12-8
CAS Name: 4-(aminomethyl)-1-phenyl-2-pyrrolidinone
OPENEYE Name: 4-(aminomethyl)-1-phenyl-pyrrolidin-2-one
IUPAC Name: 4-(aminomethyl)-1-phenylpyrrolidin-2-one
SYSTEMATIC NAME: 4-(aminomethyl)-1-phenyl-pyrrolidin-2-one
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: C1C(CN(C1=O)C2=CC=CC=C2)CN
Structure:
CAS RN: 148260-92-8
CAS Name: (3R,4S)-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)-2-azetidinone
OPENEYE Name: (3R,4S)-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
IUPAC Name: (3R,4S)-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
SYSTEMATIC NAME: (3R,4S)-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
MOLECULAR FORMULA: C26H27NO3
MOLECULAR WEIGHT: 401.49748
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)OC)CCCC4=CC=CC=C4
Structure:
CAS RN: 148234-35-9
CAS Name: (6R,7R)-7-[(2-amino-1-oxo-2-phenylethyl)amino]-8-oxo-3-[(2H-triazol-4-ylmethylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[(2-amino-2-phenyl-acetyl)amino]-8-oxo-3-(2H-triazol-4-ylmethylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-8-oxo-3-(2H-triazol-4-ylmethylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[(2-azanyl-2-phenyl-ethanoyl)amino]-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylmethylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C19H20N6O4S2
MOLECULAR WEIGHT: 460.5299
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)CSCC4=NNN=C4
Structure:
CAS RN: 148201-60-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H26ClFN4O5
MOLECULAR WEIGHT: 516.949143
SMILES: CCCC(C(=O)NC1CCCN1C2=C(C=C3C4=C2OC5=CC=CC=C5N4C=C(C3=O)C(=O)O)F)N.Cl
Structure:
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