CAS RN: 101843-94-1
CAS Name: 1-[(2R,3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide
OPENEYE Name: 1-[(2R,3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide
IUPAC Name: 1-[(2R,3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
SYSTEMATIC NAME: 1-[(2R,3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
MOLECULAR FORMULA: C20H36N4O5
MOLECULAR WEIGHT: 412.52364
SMILES: CCCCOC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)OCCCC)OCCCC
Structure:
CAS RN: 101843-86-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H78O18
MOLECULAR WEIGHT: 943.12212
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2OC3CC[C@]45CC46CC[C@@]7([C@H]([C@@H](C[C@]7(C6C[C@H](C5C3(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O)[C@]9(CC[C@H](O9)C(C)(C)O)C)C)OC(=O)C)O)O)O)O
Structure:
CAS RN: 101843-83-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H76O17
MOLECULAR WEIGHT: 901.08544
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2OC3CC[C@]45CC46CC[C@@]7([C@H]([C@@H](C[C@]7(C6C[C@H](C5C3(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O)[C@]9(CC[C@H](O9)C(C)(C)O)C)C)O)O)O)O)O
Structure:
CAS RN: 101820-46-6
CAS Name: 2-[[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-(phenylmethyl)amino]acetic acid
OPENEYE Name: 2-[benzyl-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]amino]acetic acid
IUPAC Name: 2-[benzyl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-(phenylmethyl)amino]ethanoic acid
MOLECULAR FORMULA: C24H30N2O5
MOLECULAR WEIGHT: 426.5054
SMILES: CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC2=CC=CC=C2)CC(=O)O
Structure:
CAS RN: 101770-15-4
CAS Name: (2R)-2-[[(2R)-3-mercapto-1-oxo-2-[(1-oxo-2-phenylethyl)amino]propyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2R)-3-methyl-2-[[(2R)-2-[(2-phenylacetyl)amino]-3-sulfanyl-propanoyl]amino]butanoic acid
IUPAC Name: (2R)-3-methyl-2-[[(2R)-2-[(2-phenylacetyl)amino]-3-sulfanylpropanoyl]amino]butanoic acid
SYSTEMATIC NAME: (2R)-3-methyl-2-[[(2R)-2-(2-phenylethanoylamino)-3-sulfanyl-propanoyl]amino]butanoic acid
MOLECULAR FORMULA: C16H22N2O4S
MOLECULAR WEIGHT: 338.42188
SMILES: CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CC1=CC=CC=C1
Structure:
CAS RN: 101769-91-9
CAS Name: 4-[[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-2,3,5-trihydroxy-7,8-dioxooctanoic acid
OPENEYE Name: 4-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2,3,5-trihydroxy-7,8-dioxo-octanoic acid
IUPAC Name: 4-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,5-trihydroxy-7,8-dioxooctanoic acid
SYSTEMATIC NAME: 4-[6-[1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5-tris(oxidanyl)-7,8-bis(oxidanylidene)octanoic acid
MOLECULAR FORMULA: C15H24O14
MOLECULAR WEIGHT: 428.34266
SMILES: C(C(C(C(C(C(=O)O)O)O)OC1C(C(C(C(O1)C(CO)O)O)O)O)O)C(=O)C=O
Structure:
CAS RN: 101765-35-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32O3
MOLECULAR WEIGHT: 380.51978
SMILES: CC12CCC(=O)C=C1C3(CC3)CC4C2CCC5(C4C6CC6C57CCC(=O)O7)C
Structure:
CAS RN: 101760-87-6
CAS Name: thiocyanic acid [10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-6-benzo[g]pteridinyl] ester
OPENEYE Name: [10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2,3,4-trihydroxy-pentyl]-7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-6-yl] thiocyanate
IUPAC Name: [10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-6-yl] thiocyanate
SYSTEMATIC NAME: [10-[5-[[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-6-yl] thiocyanate
MOLECULAR FORMULA: C28H32N10O15P2S
MOLECULAR WEIGHT: 842.624202
SMILES: CC1=CC2=C(C(=C1C)SC#N)N=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O
Structure:
CAS RN: 101760-45-6
CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C22H21N7O6
MOLECULAR WEIGHT: 479.44544
SMILES: C#CCN(CC1=CN=C2C(=N1)C(=O)N=C(N2)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 101706-05-2
CAS Name: 4-(3,7-dimethyl-2,6-dioxo-1-purinyl)-3-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 4-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-3-oxo-butanoate
IUPAC Name: ethyl 4-(3,7-dimethyl-2,6-dioxopurin-1-yl)-3-oxobutanoate
SYSTEMATIC NAME: ethyl 4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C13H16N4O5
MOLECULAR WEIGHT: 308.28994
SMILES: CCOC(=O)CC(=O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C
Structure:
CAS RN: 101691-66-1
CAS Name: ethaneperoxoic acid [(1R,2S,3aR,9aR)-2-hydroxy-1-[3-hydroxy-3-(4-oxanyl)propyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl] ester
OPENEYE Name: [(1R,2S,3aR,9aR)-2-hydroxy-1-(3-hydroxy-3-tetrahydropyran-4-yl-propyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl] peroxyacetate
IUPAC Name: [(1R,2S,3aR,9aR)-2-hydroxy-1-[3-hydroxy-3-(oxan-4-yl)propyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl] ethaneperoxoate
SYSTEMATIC NAME: [(1R,2S,3aR,9aR)-1-[3-(oxan-4-yl)-3-oxidanyl-propyl]-2-oxidanyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl] ethaneperoxoate
MOLECULAR FORMULA: C23H32O6
MOLECULAR WEIGHT: 404.49658
SMILES: CC(=O)OOC1=CC=CC2=C1C[C@@H]3C[C@@H]([C@@H]([C@@H]3C2)CCC(C4CCOCC4)O)O
Structure:
CAS RN: 101686-64-0
CAS Name: 4-[4-(methylamino)butoxy]-3-(phenylmethyl)phenol
OPENEYE Name: 3-benzyl-4-[4-(methylamino)butoxy]phenol
IUPAC Name: 3-benzyl-4-[4-(methylamino)butoxy]phenol
SYSTEMATIC NAME: 4-[4-(methylamino)butoxy]-3-(phenylmethyl)phenol
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CNCCCCOC1=C(C=C(C=C1)O)CC2=CC=CC=C2
Structure:
CAS RN: 101686-63-9
CAS Name: 4-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol
OPENEYE Name: 4-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol
IUPAC Name: 4-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol
SYSTEMATIC NAME: 4-[[2-[4-(methylamino)butoxy]phenyl]methyl]phenol
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CNCCCCOC1=CC=CC=C1CC2=CC=C(C=C2)O
Structure:
CAS RN: 101662-30-0
CAS Name: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-6-phosphonooxy-3-oxanyl] dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis[[(3R)-3-hydroxytetradecanoyl]amino]-6-phosphonooxy-tetrahydropyran-3-yl] dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis[[(3R)-3-hydroxytetradecanoyl]amino]-6-phosphonooxyoxan-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4,5-bis[[(3R)-3-oxidanyltetradecanoyl]amino]-6-phosphonooxy-oxan-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C34H68N2O14P2
MOLECULAR WEIGHT: 790.856242
SMILES: CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(O)O)CO)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O
Structure:
CAS RN: 101648-81-1
CAS Name: [(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-2-oxanyl] dihydrogen phosphate
OPENEYE Name: [(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(3R)-3-hydroxytetradecanoyl]amino]tetrahydropyran-2-yl] dihydrogen phosphate
IUPAC Name: [(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(3R)-3-hydroxytetradecanoyl]amino]oxan-2-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-oxidanyl-3,4-bis[[(3R)-3-oxidanyltetradecanoyl]amino]oxan-2-yl] dihydrogen phosphate
MOLECULAR FORMULA: C34H67N2O11P
MOLECULAR WEIGHT: 710.876341
SMILES: CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O
Structure:
CAS RN: 101639-68-3
CAS Name: 2-bromo-N-[4-[2-[[3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]amino]-2-methylpropyl]phenyl]acetamide
OPENEYE Name: 2-bromo-N-[4-[2-[[3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxy-propyl]amino]-2-methyl-propyl]phenyl]acetamide
IUPAC Name: 2-bromo-N-[4-[2-[[3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]amino]-2-methylpropyl]phenyl]acetamide
SYSTEMATIC NAME: 2-bromanyl-N-[4-[2-[[3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-oxidanyl-propyl]amino]-2-methyl-propyl]phenyl]ethanamide
MOLECULAR FORMULA: C27H37BrN2O4
MOLECULAR WEIGHT: 533.49768
SMILES: CC(C)(CC1=CC=C(C=C1)NC(=O)CBr)NCC(COC2=CC=C(C=C2)CCOCC3CC3)O
Structure:
CAS RN: 101628-44-8
CAS Name: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(2-oxiranylmethoxy)-2-oxanyl]methoxy]oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(oxiran-2-ylmethoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(oxiran-2-ylmethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[[3,4,5-tris(oxidanyl)-6-(oxiran-2-ylmethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C15H26O12
MOLECULAR WEIGHT: 398.35974
SMILES: C1C(O1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
Structure:
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