CAS RN: 916792-12-6
CAS Name: 4,6-dimethyl-3-isoxazolo[5,4-b]pyridinamine
OPENEYE Name: 4,6-dimethylisoxazolo[5,4-b]pyridin-3-amine
IUPAC Name: 4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
SYSTEMATIC NAME: 4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
MOLECULAR FORMULA: C8H9N3O
MOLECULAR WEIGHT: 163.17656
SMILES: CC1=CC(=NC2=C1C(=NO2)N)C
Structure:
CAS RN: 754214-56-7
CAS Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
OPENEYE Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C13H17BN2O2
MOLECULAR WEIGHT: 244.09728
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(NC=C3)N=C2
Structure:
CAS RN: 202282-98-2
CAS Name: 1,3,7-trimethylpurine-2,6-dione
OPENEYE Name: 1,3,7-trimethylpurine-2,6-dione
IUPAC Name: 1,3,7-trimethylpurine-2,6-dione
SYSTEMATIC NAME: 1,3,7-trimethylpurine-2,6-dione
MOLECULAR FORMULA: C8H10N4O2
MOLECULAR WEIGHT: 195.183255
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2[13CH3])C
Structure:
CAS RN: 99857-72-4
CAS Name: 1-(5-chloro-2-methoxyphenyl)piperazine hydrochloride
OPENEYE Name: 1-(5-chloro-2-methoxy-phenyl)piperazine hydrochloride
IUPAC Name: 1-(5-chloro-2-methoxyphenyl)piperazine hydrochloride
SYSTEMATIC NAME: 1-(5-chloranyl-2-methoxy-phenyl)piperazine hydrochloride
MOLECULAR FORMULA: C11H16Cl2N2O
MOLECULAR WEIGHT: 263.16354
SMILES: COC1=C(C=C(C=C1)Cl)N2CCNCC2.Cl
Structure:
CAS RN: 101439-04-7
CAS Name: (3Z)-1-oxo-3-(phenylmethylene)isobenzofuran-5,6-dicarboxylic acid
OPENEYE Name: (1Z)-1-benzylidene-3-oxo-isobenzofuran-5,6-dicarboxylic acid
IUPAC Name: (1Z)-1-benzylidene-3-oxo-2-benzofuran-5,6-dicarboxylic acid
SYSTEMATIC NAME: (3Z)-1-oxidanylidene-3-(phenylmethylidene)-2-benzofuran-5,6-dicarboxylic acid
MOLECULAR FORMULA: C17H10O6
MOLECULAR WEIGHT: 310.2577
SMILES: C1=CC=C(C=C1)/C=C\2/C3=CC(=C(C=C3C(=O)O2)C(=O)O)C(=O)O
Structure:
CAS RN: 59456-75-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H18O8
MOLECULAR WEIGHT: 482.43772
SMILES: C1C2C3CC4C25C(=C(C6=C(C5=O)C=CC=C6O)O)C(=O)C1C37C(=C(C8=C(C7=O)C=CC=C8O)O)C4=O
Structure:
CAS RN: 321430-15-3
CAS Name: 4-[4-[3-(trifluoromethyl)phenyl]-2-thiazolidinyl]benzoic acid
OPENEYE Name: 4-[4-[3-(trifluoromethyl)phenyl]thiazolidin-2-yl]benzoic acid
IUPAC Name: 4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]benzoic acid
SYSTEMATIC NAME: 4-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]benzoic acid
MOLECULAR FORMULA: C17H14F3NO2S
MOLECULAR WEIGHT: 353.35877
SMILES: C1C(NC(S1)C2=CC=C(C=C2)C(=O)O)C3=CC(=CC=C3)C(F)(F)F
Structure:
CAS RN: 669056-34-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H48N4O4S
MOLECULAR WEIGHT: 704.91992
SMILES: C[C@]12CCC3C(C1CC4=CN=C(N=C24)NC(=O)C(CSCC5=CC=CC=C5)NC(=O)OC(C)(C)C)CCC6=C3C=CC(=C6)OCC7=CC=CC=C7
Structure:
CAS RN: 634606-69-2
CAS Name: (E,5R)-5-[(1R,4Z,7Z,9R,13R,14R)-9-acetyloxy-4-chloro-8-methyl-11-oxo-12,15-dioxabicyclo[11.2.1]hexadeca-4,7-dien-14-yl]-5-hydroxy-3-methyl-3-pentenoic acid methyl ester
OPENEYE Name: methyl (E,5R)-5-[(1R,4Z,7Z,9R,13R,14R)-9-acetoxy-4-chloro-8-methyl-11-oxo-12,15-dioxabicyclo[11.2.1]hexadeca-4,7-dien-14-yl]-5-hydroxy-3-methyl-pent-3-enoate
IUPAC Name: methyl (E,5R)-5-[(1R,4Z,7Z,9R,13R,14R)-9-acetyloxy-4-chloro-8-methyl-11-oxo-12,15-dioxabicyclo[11.2.1]hexadeca-4,7-dien-14-yl]-5-hydroxy-3-methylpent-3-enoate
SYSTEMATIC NAME: methyl (E,5R)-5-[(1R,4Z,7Z,9R,13R,14R)-9-acetyloxy-4-chloranyl-8-methyl-11-oxidanylidene-12,15-dioxabicyclo[11.2.1]hexadeca-4,7-dien-14-yl]-3-methyl-5-oxidanyl-pent-3-enoate
MOLECULAR FORMULA: C24H33ClO8
MOLECULAR WEIGHT: 484.96702
SMILES: C/C/1=C/C/C=C(/CC[C@@H]2C[C@H]([C@H](O2)[C@@H](/C=C(\C)/CC(=O)OC)O)OC(=O)C[C@H]1OC(=O)C)\Cl
Structure:
CAS RN: 39546-18-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H20O8
MOLECULAR WEIGHT: 484.4536
SMILES: C1CC(=O)C2=C(C3=C(C=CC=C3O)C4=C2[C@H]1[C@H]5CCC(=O)C6=C(C7=C(C=CC=C7O)C(=O)[C@]56O4)O)O
Structure:
CAS RN: 229971-81-7
CAS Name: (4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide; 2,2,2-trifluoroacetic acid
OPENEYE Name: (4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-7-isopropyl-10-methyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide; 2,2,2-trifluoroacetic acid
IUPAC Name: (4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: (4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetrakis(oxidanylidene)-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C24H35F3N8O8S2
MOLECULAR WEIGHT: 684.70871
SMILES: C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CN=CN2)NC(=O)C)C(=O)N)C(C)C.C(=O)(C(F)(F)F)O
Structure:
CAS RN: 50627-73-1
CAS Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C39H54O5
MOLECULAR WEIGHT: 602.84306
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
Structure:
CAS RN: 331243-42-6
CAS Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(Z)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C39H54O5
MOLECULAR WEIGHT: 602.84306
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)/C=C\C6=CC=C(C=C6)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
Structure:
CAS RN: 117582-92-0
CAS Name: (2S)-N-[(2E,4E)-5-[(3S,4E,6E,8R,11E,13E,16S,17E,19E,21R,22E)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide
OPENEYE Name: (2S)-N-[(2E,4E)-5-[(3S,4E,6E,8R,11E,13E,16S,17E,19E,21R,22E)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]-2-formamido-3-hydroxy-propanamide
IUPAC Name: (2S)-N-[(2E,4E)-5-[(3S,4E,6E,8R,11E,13E,16S,17E,19E,21R,22E)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methylhexa-2,4-dienyl]-2-formamido-3-hydroxypropanamide
SYSTEMATIC NAME: (2S)-N-[(2E,4E)-5-[(3S,4E,6E,8R,11E,13E,16S,17E,19E,21R,22E)-8,16-dimethoxy-3,12,18,21,23-pentamethyl-24-oxidanylidene-1-oxacyclotetracosa-4,6,11,13,17,19,22-heptaen-2-yl]-2-methyl-hexa-2,4-dienyl]-2-formamido-3-oxidanyl-propanamide
MOLECULAR FORMULA: C41H60N2O7
MOLECULAR WEIGHT: 692.9243
SMILES: C[C@@H]\1/C=C/C(=C/[C@H](C/C=C/C(=C/CC[C@H](/C=C/C=C/[C@@H](C(OC(=O)/C(=C1)/C)/C(=C/C=C(\C)/CNC(=O)[C@H](CO)NC=O)/C)C)OC)/C)OC)/C
Structure:
CAS RN: 118499-90-4
CAS Name: 4-[[2-[(4-carbamimidoylphenyl)methoxy]phenoxy]methyl]benzenecarboximidamide hydrochloride
OPENEYE Name: 4-[[2-[(4-carbamimidoylphenyl)methoxy]phenoxy]methyl]benzamidine hydrochloride
IUPAC Name: 4-[[2-[(4-carbamimidoylphenyl)methoxy]phenoxy]methyl]benzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-[[2-[(4-carbamimidoylphenyl)methoxy]phenoxy]methyl]benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C22H23ClN4O2
MOLECULAR WEIGHT: 410.89662
SMILES: C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=N)N)OCC3=CC=C(C=C3)C(=N)N.Cl
Structure:
CAS RN: 118499-92-6
CAS Name: 4-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide hydrochloride
OPENEYE Name: 4-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzamidine hydrochloride
IUPAC Name: 4-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C22H23ClN4O2
MOLECULAR WEIGHT: 410.89662
SMILES: C1=CC(=CC(=C1)COC2=CC=C(C=C2)C(=N)N)COC3=CC=C(C=C3)C(=N)N.Cl
Structure:
CAS RN: 286476-58-2
CAS Name: 4-amino-5-hydroxy-1-naphthalenesulfonic acid; potassium
OPENEYE Name: 4-amino-5-hydroxy-naphthalene-1-sulfonic acid; potassium
IUPAC Name: 4-amino-5-hydroxynaphthalene-1-sulfonic acid; potassium
SYSTEMATIC NAME: 4-azanyl-5-oxidanyl-naphthalene-1-sulfonic acid; potassium
MOLECULAR FORMULA: C10H9KNO4S
MOLECULAR WEIGHT: 278.34606
SMILES: C1=CC2=C(C=CC(=C2C(=C1)O)N)S(=O)(=O)O.[K]
Structure:
CAS RN: 115795-15-8
CAS Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)-1-oxobutyl]amino]-4-methylpentanoic acid hydrochloride
OPENEYE Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]amino]-4-methyl-pentanoic acid hydrochloride
IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]amino]-4-methylpentanoic acid hydrochloride
SYSTEMATIC NAME: (2S)-2-[[(2S,3R)-3-azanyl-4-(4-nitrophenyl)-2-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid hydrochloride
MOLECULAR FORMULA: C16H24ClN3O6
MOLECULAR WEIGHT: 389.83126
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])N)O.Cl
Structure:
CAS RN: 100992-59-4
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]butanedioic acid hydrochloride
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-5-methyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid hydrochloride
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid hydrochloride
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-3-azanyl-5-methyl-2-oxidanyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid hydrochloride
MOLECULAR FORMULA: C21H39ClN4O8
MOLECULAR WEIGHT: 511.00936
SMILES: CC(C)C[C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)O)N.Cl
Structure:
CAS RN: 155070-29-4
CAS Name: 2-[5-(6-dodec-11-enyl-6-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl)pentyl]guanidine chloride hydrochloride
OPENEYE Name: 2-[5-(6-dodec-11-enyl-6-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl)pentyl]guanidine chloride hydrochloride
IUPAC Name: 2-[5-(6-dodec-11-enyl-6-hydroxy-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl)pentyl]guanidine chloride hydrochloride
SYSTEMATIC NAME: 2-[5-(6-dodec-11-enyl-6-oxidanyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidin-1-ium-1-yl)pentyl]guanidine chloride hydrochloride
MOLECULAR FORMULA: C25H47Cl2N5O
MOLECULAR WEIGHT: 504.57958
SMILES: C=CCCCCCCCCCCC1(C=CC2=[N+](CCCN21)CCCCCN=C(N)N)O.Cl.[Cl-]
Structure:
CAS RN: 122335-84-6
CAS Name: acetic acid (4',5',6'-triacetyloxy-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester
OPENEYE Name: (4',5',6'-triacetoxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) acetate
IUPAC Name: (4',5',6'-triacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
SYSTEMATIC NAME: (4',5',6'-triacetyloxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) ethanoate
MOLECULAR FORMULA: C28H20O11
MOLECULAR WEIGHT: 532.4518
SMILES: CC(=O)OC1=C(C2=C(C=C1)C3(C4=C(O2)C(=C(C=C4)OC(=O)C)OC(=O)C)C5=CC=CC=C5C(=O)O3)OC(=O)C
Structure:
CAS RN: 99008-33-0
CAS Name: 2-[4-(1,3-dimethyl-2-imidazolidinyl)phenyl]-1,3-dimethylimidazolidine
OPENEYE Name: 2-[4-(1,3-dimethylimidazolidin-2-yl)phenyl]-1,3-dimethyl-imidazolidine
IUPAC Name: 2-[4-(1,3-dimethylimidazolidin-2-yl)phenyl]-1,3-dimethylimidazolidine
SYSTEMATIC NAME: 2-[4-(1,3-dimethylimidazolidin-2-yl)phenyl]-1,3-dimethyl-imidazolidine
MOLECULAR FORMULA: C16H26N4
MOLECULAR WEIGHT: 274.40444
SMILES: CN1CCN(C1C2=CC=C(C=C2)C3N(CCN3C)C)C
Structure:
CAS RN: 123885-92-7
CAS Name: 4-[4-(4-carbamimidoylphenyl)-1-piperazinyl]benzenecarboximidamide hydrochloride
OPENEYE Name: 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]benzamidine hydrochloride
IUPAC Name: 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]benzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C18H23ClN6
MOLECULAR WEIGHT: 358.86842
SMILES: C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl
Structure:
CAS RN: 68291-13-4
CAS Name: [(3,5-dimethyl-1-piperidinyl)-phosphonomethyl]phosphonic acid
OPENEYE Name: [(3,5-dimethyl-1-piperidyl)-phosphono-methyl]phosphonic acid
IUPAC Name: [(3,5-dimethylpiperidin-1-yl)-phosphonomethyl]phosphonic acid
SYSTEMATIC NAME: [(3,5-dimethylpiperidin-1-yl)-phosphono-methyl]phosphonic acid
MOLECULAR FORMULA: C8H19NO6P2
MOLECULAR WEIGHT: 287.187082
SMILES: CC1CC(CN(C1)C(P(=O)(O)O)P(=O)(O)O)C
Structure:
CAS RN: 132423-86-0
CAS Name: [1-hydroxy-3-[methyl(2-phenoxyethyl)amino]-1-phosphonopropyl]phosphonic acid; sodium
OPENEYE Name: [1-hydroxy-3-[methyl(2-phenoxyethyl)amino]-1-phosphono-propyl]phosphonic acid; sodium
IUPAC Name: [1-hydroxy-3-[methyl(2-phenoxyethyl)amino]-1-phosphonopropyl]phosphonic acid; sodium
SYSTEMATIC NAME: [3-[methyl(2-phenoxyethyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid; sodium
MOLECULAR FORMULA: C12H21NNaO8P2
MOLECULAR WEIGHT: 392.234332
SMILES: CN(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCOC1=CC=CC=C1.[Na]
Structure:
CAS RN: 376648-13-4
CAS Name: (1S,2E,7S,11R,12S,13R,15S)-11-(3-aminophenyl)sulfinyl-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadec-2-en-9-one
OPENEYE Name: (1S,2E,7S,11R,12S,13R,15S)-11-(3-aminophenyl)sulfinyl-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadec-2-en-9-one
IUPAC Name: (1S,2E,7S,11R,12S,13R,15S)-11-(3-aminophenyl)sulfinyl-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadec-2-en-9-one
SYSTEMATIC NAME: (1S,2E,7S,11R,12S,13R,15S)-11-(3-aminophenyl)sulfinyl-7-methyl-12,15-bis(oxidanyl)-8-oxabicyclo[11.3.0]hexadec-2-en-9-one
MOLECULAR FORMULA: C22H31NO5S
MOLECULAR WEIGHT: 421.55024
SMILES: C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H]([C@@H](CC(=O)O1)S(=O)C3=CC=CC(=C3)N)O)O
Structure:
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