CAS RN: 33103-22-9
CAS Name: 3,6-diamino-N-[(6E)-3-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide
OPENEYE Name: 3,6-diamino-N-[(6E)-3-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-6-(ureidomethylene)-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxy-hexanamide
IUPAC Name: 3,6-diamino-N-[(6E)-3-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-4-hydroxyhexanamide
SYSTEMATIC NAME: N-[(6E)-6-[(aminocarbonylamino)methylidene]-3-(2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl)-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentakis(oxidanylidene)-1,4,7,10,13-pentazacyclohexadec-15-yl]-3,6-bis(azanyl)-4-oxidanyl-hexanamide
MOLECULAR FORMULA: C25H43N13O10
MOLECULAR WEIGHT: 685.69002
SMILES: C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)N/C(=C/NC(=O)N)/C(=O)N2)CO)CO)NC(=O)CC(C(CCN)O)N)N
Structure:
CAS RN: 29897-53-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H20BrN5
MOLECULAR WEIGHT: 302.214
SMILES: C1N2CN3CN1C[N+](C2)(C3)CCCCC#N.[Br-]
Structure:
CAS RN: 500565-15-1
CAS Name: 4-[(6-chloro-2-methoxy-9-acridin-10-iumyl)amino]-2-[(4-methyl-1-piperazinyl)methyl]phenol chloride
OPENEYE Name: 4-[(6-chloro-2-methoxy-acridin-10-ium-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol chloride
IUPAC Name: 4-[(6-chloro-2-methoxyacridin-10-ium-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol chloride
SYSTEMATIC NAME: 4-[(6-chloranyl-2-methoxy-acridin-10-ium-9-yl)amino]-2-[(4-methylpiperazin-1-yl)methyl]phenol chloride
MOLECULAR FORMULA: C26H28Cl2N4O2
MOLECULAR WEIGHT: 499.43212
SMILES: CN1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=C(C=CC4=[NH+]C5=C3C=CC(=C5)Cl)OC)O.[Cl-]
Structure:
CAS RN: 91901-71-2
CAS Name: 2-[3-[(1E)-1-hydroxyiminoethyl]-2,2-dimethylcyclobutyl]acetic acid
OPENEYE Name: 2-[3-[(E)-N-hydroxy-C-methyl-carbonimidoyl]-2,2-dimethyl-cyclobutyl]acetic acid
IUPAC Name: 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid
SYSTEMATIC NAME: 2-[2,2-dimethyl-3-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]cyclobutyl]ethanoic acid
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: C/C(=N\O)/C1CC(C1(C)C)CC(=O)O
Structure:
CAS RN: 90978-91-9
CAS Name: 2-[3-[(1E)-1-hydroxyiminoethyl]-2,2-dimethylcyclobutyl]acetic acid
OPENEYE Name: 2-[3-[(E)-N-hydroxy-C-methyl-carbonimidoyl]-2,2-dimethyl-cyclobutyl]acetic acid
IUPAC Name: 2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid
SYSTEMATIC NAME: 2-[2,2-dimethyl-3-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]cyclobutyl]ethanoic acid
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: C/C(=N\O)/C1CC(C1(C)C)CC(=O)O
Structure:
CAS RN: 32970-80-2
CAS Name: (5aR,8aR,9R)-9-(3,4-dimethoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
OPENEYE Name: (5aR,8aR,9R)-9-(3,4-dimethoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
IUPAC Name: (5aR,8aR,9R)-9-(3,4-dimethoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
SYSTEMATIC NAME: (5aR,8aR,9R)-9-(3,4-dimethoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
MOLECULAR FORMULA: C22H22O7
MOLECULAR WEIGHT: 398.40588
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)OC)COC3=O)OC
Structure:
CAS RN: 27127-79-3
CAS Name: 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,5,6
OPENEYE Name: 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]
IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,13R,14S)-3-[(2R,3S,4S,5S,6S)-5-[(2S,3R,4S,5S,6R)-6-[[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,
MOLECULAR FORMULA: C42H66O18
MOLECULAR WEIGHT: 858.96264
SMILES: C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O
Structure:
CAS RN: 11076-76-9
CAS Name: 1,12-di(tridecoxy)dodecane-1,3,5,7,9,11-hexol; (2E,4E,6E,8E,10E)-13-hydroxy-12-methyltetradeca-2,4,6,8,10-pentaenoic acid methyl ester
OPENEYE Name: 1,12-di(tridecoxy)dodecane-1,3,5,7,9,11-hexol; methyl (2E,4E,6E,8E,10E)-13-hydroxy-12-methyl-tetradeca-2,4,6,8,10-pentaenoate
IUPAC Name: 1,12-di(tridecoxy)dodecane-1,3,5,7,9,11-hexol; methyl (2E,4E,6E,8E,10E)-13-hydroxy-12-methyltetradeca-2,4,6,8,10-pentaenoate
SYSTEMATIC NAME: 1,12-di(tridecoxy)dodecane-1,3,5,7,9,11-hexol; methyl (2E,4E,6E,8E,10E)-12-methyl-13-oxidanyl-tetradeca-2,4,6,8,10-pentaenoate
MOLECULAR FORMULA: C54H100O11
MOLECULAR WEIGHT: 925.3652
SMILES: CCCCCCCCCCCCCOCC(CC(CC(CC(CC(CC(O)OCCCCCCCCCCCCC)O)O)O)O)O.CC(/C=C/C=C/C=C/C=C/C=C/C(=O)OC)C(C)O
Structure:
CAS RN: 13040-98-7
CAS Name: 4-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methyl]-N-(diaminomethylidene)-1-piperazinecarboximidamide dihydrochloride
OPENEYE Name: 4-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxy-methyl]amino]methyl]-N-(diaminomethylene)piperazine-1-carboxamidine dihydrochloride
IUPAC Name: 4-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methyl]-N-(diaminomethylidene)piperazine-1-carboximidamide dihydrochloride
SYSTEMATIC NAME: 4-[[[(Z)-[(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-1,3,12-tris(oxidanylidene)-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-oxidanyl-methyl]amino]methyl]-N-[bis(azanyl)methylidene]piperazine-1-carboximidamide dihydrochlorid
MOLECULAR FORMULA: C29H40Cl2N8O8
MOLECULAR WEIGHT: 699.5827
SMILES: C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\NCN4CCN(CC4)C(=N)N=C(N)N)/O)/C(=O)[C@]3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)N(C)C)O.Cl.Cl
Structure:
CAS RN: 11055-37-1
CAS Name: 2-[(3S,3aS,4R,5R,7R,7aR)-7-(2-amino-9-purinyl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[[(2S)-2-amino-5-[carbamimidoyl(hydroxy)amino]-1-oxopentyl]amino]acetic acid dihydrochloride
OPENEYE Name: 2-[(3S,3aS,4R,5R,7R,7aR)-7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[[(2S)-2-amino-5-[carbamimidoyl(hydroxy)amino]pentanoyl]amino]acetic acid dihydrochloride
IUPAC Name: 2-[(3S,3aS,4R,5R,7R,7aR)-7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[[(2S)-2-amino-5-[carbamimidoyl(hydroxy)amino]pentanoyl]amino]acetic acid dihydrochloride
SYSTEMATIC NAME: 2-[(3S,3aS,4R,5R,7R,7aR)-7-(2-azanylpurin-9-yl)-3,3a,4-tris(oxidanyl)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]-2-[[(2S)-2-azanyl-5-[carbamimidoyl(oxidanyl)amino]pentanoyl]amino]ethanoic acid dihydrochloride
MOLECULAR FORMULA: C20H32Cl2N10O9
MOLECULAR WEIGHT: 627.43568
SMILES: C1[C@@H]([C@@]2([C@@H]([C@H](O[C@H]([C@@H]2O1)N3C=NC4=CN=C(N=C43)N)C(C(=O)O)NC(=O)[C@H](CCCN(C(=N)N)O)N)O)O)O.Cl.Cl
Structure:
CAS RN: 20585-34-6
CAS Name: (E)-2-methyl-2-butenoic acid [7-acetyloxy-6-(chloromethyl)-6,9a-dihydroxy-9-methyl-3-methylene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [7-acetoxy-6-(chloromethyl)-6,9a-dihydroxy-9-methyl-3-methylene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [7-acetyloxy-6-(chloromethyl)-6,9a-dihydroxy-9-methyl-3-methylidene-2-oxo-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [7-acetyloxy-6-(chloromethyl)-9-methyl-3-methylidene-6,9a-bis(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C22H27ClO8
MOLECULAR WEIGHT: 454.89798
SMILES: C/C=C(\C)/C(=O)OC1CC(C2C(C=C(C2(C3C1C(=C)C(=O)O3)O)C)OC(=O)C)(CCl)O
Structure:
CAS RN: 13292-46-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N4O12
MOLECULAR WEIGHT: 822.94022
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
Structure:
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