CAS RN: 132707-68-7
CAS Name: (5Z,7Z,21E)-4,26-diethyl-11,12,15,19-tetrahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,29-octamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
OPENEYE Name: (5Z,7Z,21E)-4,26-diethyl-11,12,15,19-tetrahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,29-octamethyl-spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-tetrahydropyran]-13,17,23-trione
IUPAC Name: (5Z,7Z,21E)-4,26-diethyl-11,12,15,19-tetrahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,29-octamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
SYSTEMATIC NAME: (5Z,7Z,21E)-4,26-diethyl-5',10,12,14,16,18,20,29-octamethyl-11,12,15,19-tetrakis(oxidanyl)-6'-(2-oxidanylpropyl)spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
MOLECULAR FORMULA: C46H76O11
MOLECULAR WEIGHT: 805.08904
SMILES: CCC\1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)CC)OC(=O)/C=C/C(C(C(C(=O)C(C(C(C(=O)C(C(C(C/C=C\C=C1)C)O)(C)O)C)O)C)C)O)C)C
Structure:
CAS RN: 132338-78-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H56N2O14
MOLECULAR WEIGHT: 860.94184
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCOC5=CC=CC=C5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 41776-67-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H56N2O14
MOLECULAR WEIGHT: 860.94184
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCOC5=CC=CC=C5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 84309-08-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H56N2O14
MOLECULAR WEIGHT: 860.94184
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NOCCOC5=CC=CC=C5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 132032-67-8
CAS Name: 4-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid
OPENEYE Name: 4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid
IUPAC Name: 4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid
MOLECULAR FORMULA: C20H22O2
MOLECULAR WEIGHT: 294.38748
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C#CC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 131399-37-6
CAS Name: (E)-4-chloro-N-(4-chlorophenyl)-2,2-dimethyl-3-butenamide
OPENEYE Name: (E)-4-chloro-N-(4-chlorophenyl)-2,2-dimethyl-but-3-enamide
IUPAC Name: (E)-4-chloro-N-(4-chlorophenyl)-2,2-dimethylbut-3-enamide
SYSTEMATIC NAME: (E)-4-chloranyl-N-(4-chlorophenyl)-2,2-dimethyl-but-3-enamide
MOLECULAR FORMULA: C12H13Cl2NO
MOLECULAR WEIGHT: 258.14372
SMILES: CC(C)(/C=C/Cl)C(=O)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 131022-02-1
CAS Name: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarbo
OPENEYE Name: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis(3-guanidinopropyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-5,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
IUPAC Name: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicar
SYSTEMATIC NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-[bis(azanyl)methylideneamino]propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopen
MOLECULAR FORMULA: C48H73N13O12
MOLECULAR WEIGHT: 1024.17312
SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC1=O)C(=O)O)C)CCCN=C(N)N)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
Structure:
CAS RN: 130812-07-6
CAS Name: (14E)-9-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-10-[(E)-4-oxopent-2-enyl]-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
OPENEYE Name: (14E)-9-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-10-[(E)-4-oxopent-2-enyl]-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
IUPAC Name: (14E)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-10-[(E)-4-oxopent-2-enyl]-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
SYSTEMATIC NAME: (14E)-9-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,8,12,16-tetramethyl-7-oxidanyl-10-[(E)-4-oxidanylidenepent-2-enyl]-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
MOLECULAR FORMULA: C34H55NO9
MOLECULAR WEIGHT: 621.8018
SMILES: CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)C/C=C/C(=O)C)C)C)C
Structure:
CAS RN: 130812-06-5
CAS Name: 2-amino-3-[[2-[(14E)-9-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]-1-hydroxyethyl]thio]propanoic acid
OPENEYE Name: 2-amino-3-[2-[(14E)-9-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]-1-hydroxy-ethyl]sulfanyl-propanoic acid
IUPAC Name: 2-amino-3-[2-[(14E)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]-1-hydroxyethyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[2-[(14E)-9-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,8,12,16-tetramethyl-7-oxidanyl-5,13-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]-1-oxidanyl-ethyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C34H58N2O11S
MOLECULAR WEIGHT: 702.89612
SMILES: CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)CC(O)SCC(C(=O)O)N)C)C)C
Structure:
CAS RN: 130252-71-0
CAS Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-[[(Z)-octadec-9-enyl]amino]-2-pyrimidinone
OPENEYE Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-[[(Z)-octadec-9-enyl]amino]pyrimidin-2-one
IUPAC Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[[(Z)-octadec-9-enyl]amino]pyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-[[(Z)-octadec-9-enyl]amino]pyrimidin-2-one
MOLECULAR FORMULA: C27H47N3O5
MOLECULAR WEIGHT: 493.67918
SMILES: CCCCCCCC/C=C\CCCCCCCCNC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 129744-24-7
CAS Name: (2E,4S,7E)-N-[[(1S,4S,8aR)-4-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium-1-yl]methyl]-4,8,12-trimethyltrideca-2,7,11-trienamide
OPENEYE Name: (2E,4S,7E)-N-[[(1S,4S,8aR)-4-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium-1-yl]methyl]-4,8,12-trimethyl-trideca-2,7,11-trienamide
IUPAC Name: (2E,4S,7E)-N-[[(1S,4S,8aR)-4-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium-1-yl]methyl]-4,8,12-trimethyltrideca-2,7,11-trienamide
SYSTEMATIC NAME: (2E,4S,7E)-N-[[(1S,4S,8aR)-4-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-4-ium-1-yl]methyl]-4,8,12-trimethyl-trideca-2,7,11-trienamide
MOLECULAR FORMULA: C26H45N2O+
MOLECULAR WEIGHT: 401.6483
SMILES: C[C@@H](CC/C=C(\C)/CCC=C(C)C)/C=C/C(=O)NC[C@@H]1CC[N@+]2([C@@H]1CCCC2)C
Structure:
CAS RN: 129678-94-0
CAS Name: 15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
OPENEYE Name: 15-(3-guanidinopropyl)-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
IUPAC Name: 15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
SYSTEMATIC NAME: 15-[3-[bis(azanyl)methylideneamino]propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
MOLECULAR FORMULA: C49H76N10O12
MOLECULAR WEIGHT: 997.18754
SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)CCC(NC1=O)C(=O)O)C)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/C(C)C(CC2=CC=CC=C2)OC)/C
Structure:
CAS RN: 146145-25-7
CAS Name: 15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
OPENEYE Name: 15-(3-guanidinopropyl)-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
IUPAC Name: 15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
SYSTEMATIC NAME: 15-[3-[bis(azanyl)methylideneamino]propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
MOLECULAR FORMULA: C49H76N10O12
MOLECULAR WEIGHT: 997.18754
SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)CCC(NC1=O)C(=O)O)C)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/C(C)C(CC2=CC=CC=C2)OC)/C
Structure:
CAS RN: 146145-26-8
CAS Name: 15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
OPENEYE Name: 15-(3-guanidinopropyl)-8-isobutyl-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
IUPAC Name: 15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
SYSTEMATIC NAME: 15-[3-[bis(azanyl)methylideneamino]propyl]-18-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,2,5,12,19-pentamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
MOLECULAR FORMULA: C49H76N10O12
MOLECULAR WEIGHT: 997.18754
SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)CCC(NC1=O)C(=O)O)C)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/C(C)C(CC2=CC=CC=C2)OC)/C
Structure:
CAS RN: 129145-65-9
CAS Name: (2E,3Z,5E)-2-(methoxymethylidene)-6-(3-methoxyphenyl)-3-methylhexa-3,5-dienoic acid methyl ester
OPENEYE Name: methyl (2E,3Z,5E)-2-(methoxymethylene)-6-(3-methoxyphenyl)-3-methyl-hexa-3,5-dienoate
IUPAC Name: methyl (2E,3Z,5E)-2-(methoxymethylidene)-6-(3-methoxyphenyl)-3-methylhexa-3,5-dienoate
SYSTEMATIC NAME: methyl (2E,3Z,5E)-2-(methoxymethylidene)-6-(3-methoxyphenyl)-3-methyl-hexa-3,5-dienoate
MOLECULAR FORMULA: C17H20O4
MOLECULAR WEIGHT: 288.3383
SMILES: C/C(=C/C=C/C1=CC(=CC=C1)OC)/C(=C\OC)/C(=O)OC
Structure:
CAS RN: 129145-64-8
CAS Name: (2E,3Z,5E)-6-[(3S)-4,4-dimethyl-3-(3-methylbut-2-enoxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoic acid methyl ester
OPENEYE Name: methyl (2E,3Z,5E)-6-[(3S)-4,4-dimethyl-3-(3-methylbut-2-enoxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate
IUPAC Name: methyl (2E,3Z,5E)-6-[(3S)-4,4-dimethyl-3-(3-methylbut-2-enoxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
SYSTEMATIC NAME: methyl (2E,3Z,5E)-6-[(3S)-4,4-dimethyl-3-(3-methylbut-2-enoxy)-2,3-dihydro-1,5-benzodioxepin-7-yl]-2-(methoxymethylidene)-3-methyl-hexa-3,5-dienoate
MOLECULAR FORMULA: C26H34O6
MOLECULAR WEIGHT: 442.54456
SMILES: CC(=CCO[C@H]1COC2=C(C=C(C=C2)/C=C/C=C(/C)\C(=C/OC)\C(=O)OC)OC1(C)C)C
Structure:
CAS RN: 128969-82-4
CAS Name: 2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-5-[[12-[[(E,2S,3R)-1-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxy-2-oxanyl]oxy]-3-hydroxyoctadec-4-en-2-yl]amino]-12-oxododecyl]sulfamoyl]benzenesulfonate
OPENEYE Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-[[12-[[(E,1S,2R)-1-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxy-tetrahydropyran-2-yl]oxymethyl]-2-hydroxy-heptadec-3-enyl]amino]-12-oxo-dodecyl]sulfamoyl]benzenesulfonate
IUPAC Name: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[[12-[[(E,2S,3R)-1-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]amino]-12-oxododecyl]sulfamoyl]benzenesulfonate
SYSTEMATIC NAME: 2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-[[12-[[(E,2S,3R)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]amino]-12-oxidanylidene-dodecyl]sulfamoyl]benzenesulfonate
MOLECULAR FORMULA: C63H98N4O17S3
MOLECULAR WEIGHT: 1279.66382
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCNS(=O)(=O)C2=CC(=C(C=C2)C3=C4C=CC(=[N+](CC)CC)C=C4OC5=C3C=CC(=C5)N(CC)CC)S(=O)(=O)[O-])O
Structure:
CAS RN: 128341-87-7
CAS Name: (E)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)-6-eicosenoic acid
OPENEYE Name: (E)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)icos-6-enoic acid
IUPAC Name: (E)-2-amino-3,4,14-trihydroxy-2-(hydroxymethyl)icos-6-enoic acid
SYSTEMATIC NAME: (E)-2-azanyl-2-(hydroxymethyl)-3,4,14-tris(oxidanyl)icos-6-enoic acid
MOLECULAR FORMULA: C21H41NO6
MOLECULAR WEIGHT: 403.55334
SMILES: CCCCCCC(CCCCCC/C=C/CC(C(C(CO)(C(=O)O)N)O)O)O
Structure:
CAS RN: 127346-86-5
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MOLECULAR FORMULA: C38H54O9
MOLECULAR WEIGHT: 654.82996
SMILES: C/C=C(\C)/[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5O)C)C(=O)O3)O)C)OC(=O)C(C)C)\C)C
Structure:
CAS RN: 127346-84-3
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MOLECULAR FORMULA: C42H60O12
MOLECULAR WEIGHT: 756.9186
SMILES: C/C=C(\C)/[C@@H]1[C@H](C([C@H]([C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5O)C)C(=O)O3)O)C)OC(=O)C(C)C)\C)O)OC(=O)C(C)C)C
Structure:
CAS RN: 127346-83-2
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MOLECULAR FORMULA: C39H56O10
MOLECULAR WEIGHT: 684.85594
SMILES: C/C=C(\C)/[C@@H]1[C@H](C[C@H]([C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5OC)C)C(=O)O3)O)C)OC(=O)C(C)C)\C)O)C
Structure:
CAS RN: 127346-82-1
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MOLECULAR FORMULA: C38H54O10
MOLECULAR WEIGHT: 670.82936
SMILES: C/C=C(\C)/[C@@H]1[C@H](C[C@H]([C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5O)C)C(=O)O3)O)C)OC(=O)C(C)C)\C)O)C
Structure:
CAS RN: 126924-36-5
CAS Name: (2Z,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenimine oxide
OPENEYE Name: (2Z,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine oxide
IUPAC Name: (2Z,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine oxide
SYSTEMATIC NAME: (2Z,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine oxide
MOLECULAR FORMULA: C21H31NO
MOLECULAR WEIGHT: 313.47694
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C=[N+](\C)/[O-])/C)/C
Structure:
CAS RN: 126728-71-0
CAS Name: 2-hydroxybenzoic acid [(3Z)-3-[amino(hydroxy)methylidene]-6,7-dihydroxy-8-[4-hydroxy-6-methyl-5-[(E)-2-methyl-1-oxobut-2-enoxy]-2-oxanyl]-4a,11-dimethoxy-11-methyl-2,4,5-trioxo-1,11a,12,12a-tetrahydrotetracen-1-yl] ester
OPENEYE Name: [(3Z)-3-[amino(hydroxy)methylene]-6,7-dihydroxy-8-[4-hydroxy-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-tetrahydropyran-2-yl]-4a,11-dimethoxy-11-methyl-2,4,5-trioxo-1,11a,12,12a-tetrahydrotetracen-1-yl] 2-hydroxybenzoate
IUPAC Name: [(3Z)-3-[amino(hydroxy)methylidene]-6,7-dihydroxy-8-[4-hydroxy-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]-4a,11-dimethoxy-11-methyl-2,4,5-trioxo-1,11a,12,12a-tetrahydrotetracen-1-yl] 2-hydroxybenzoate
SYSTEMATIC NAME: [(3Z)-3-[azanyl(oxidanyl)methylidene]-4a,11-dimethoxy-11-methyl-8-[6-methyl-5-[(E)-2-methylbut-2-enoyl]oxy-4-oxidanyl-oxan-2-yl]-6,7-bis(oxidanyl)-2,4,5-tris(oxidanylidene)-1,11a,12,12a-tetrahydrotetracen-1-yl] 2-oxidanylbenzoate
MOLECULAR FORMULA: C40H43NO15
MOLECULAR WEIGHT: 777.76712
SMILES: C/C=C(\C)/C(=O)OC1C(OC(CC1O)C2=C(C3=C(C=C2)C(C4CC5C(C(=O)/C(=C(\N)/O)/C(=O)C5(C(=O)C4=C3O)OC)OC(=O)C6=CC=CC=C6O)(C)OC)O)C
Structure:
CAS RN: 126586-85-4
CAS Name: 5-acetamido-2-[[5-[[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-[[6-[(E)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3-hydroxy-
OPENEYE Name: 5-acetamido-2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[6-[(E)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-octadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropy
IUPAC Name: 5-acetamido-2-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[6-[(E)-2-[(2,2-dichloroacetyl)amino]-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-6-(hydroxyme
SYSTEMATIC NAME: 5-acetamido-2-[5-[3-acetamido-6-(hydroxymethyl)-4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-2-[6-[(E)-2-[2,2-bis(chloranyl)ethanoylamino]-3-oxidanyl-octadec-4-enoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(h
MOLECULAR FORMULA: C57H97Cl2N3O31
MOLECULAR WEIGHT: 1391.28758
SMILES: CCCCCCCCCCCCC/C=C/C(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)NC(=O)C(Cl)Cl)O
Structure:
CAS RN: 11082-38-5
CAS Name: trisodium zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
OPENEYE Name: trisodium zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
IUPAC Name: trisodium zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
SYSTEMATIC NAME: trisodium zinc 2-[bis[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate
MOLECULAR FORMULA: C14H18N3Na3O10Zn
MOLECULAR WEIGHT: 522.68513
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Zn+2]
Structure:
CAS RN: 125833-02-5
CAS Name: trisodium zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
OPENEYE Name: trisodium zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
IUPAC Name: trisodium zinc 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
SYSTEMATIC NAME: trisodium zinc 2-[bis[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate
MOLECULAR FORMULA: C14H18N3Na3O10Zn
MOLECULAR WEIGHT: 522.68513
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Zn+2]
Structure:
CAS RN: 125774-71-2
CAS Name: (E)-N-[(18Z)-6-(2-amino-2-oxoethyl)-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-12-(phenylmethyl)-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]
OPENEYE Name: (E)-N-[(18Z)-6-(2-amino-2-oxo-ethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylene]-15-isobutyl-19,22-dimethyl-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]phenyl]prop-2-ena
IUPAC Name: (E)-N-[(18Z)-6-(2-amino-2-oxoethyl)-12-benzyl-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-3-[2-[(E)-pent-1-enyl]phenyl]p
SYSTEMATIC NAME: (E)-N-[(18Z)-6-(2-azanyl-2-oxidanylidene-ethyl)-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptakis(oxidanylidene)-12-(phenylmethyl)-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21
MOLECULAR FORMULA: C54H68N8O13
MOLECULAR WEIGHT: 1037.16352
SMILES: CCC/C=C/C1=CC=CC=C1/C=C/C(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)/C(=C/C3=CC=C(C=C3)O)/N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C
Structure:
CAS RN: 125616-18-4
CAS Name: (1S,4R,5Z,5'S,6'S,7Z,10R,11S,12R,14S,15R,16R,18S,19R,20S,21E,25R,26S,27S)-4,26-diethyl-11,12,15,19-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',10,12,14,16,18,20,29-octamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-3',13,17,23-tet
OPENEYE Name: (1S,4R,5Z,5'S,6'S,7Z,10R,11S,12R,14S,15R,16R,18S,19R,20S,21E,25R,26S,27S)-4,26-diethyl-11,12,15,19-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',10,12,14,16,18,20,29-octamethyl-spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-tetrahydropyran]-3',1
IUPAC Name: (1S,4R,5Z,5'S,6'S,7Z,10R,11S,12R,14S,15R,16R,18S,19R,20S,21E,25R,26S,27S)-4,26-diethyl-11,12,15,19-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',10,12,14,16,18,20,29-octamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-3',13,17,23-tet
SYSTEMATIC NAME: (1S,4R,5Z,5'S,6'S,7Z,10R,11S,12R,14S,15R,16R,18S,19R,20S,21E,25R,26S,27S)-4,26-diethyl-5',10,12,14,16,18,20,29-octamethyl-11,12,15,19-tetrakis(oxidanyl)-6'-[(2R)-2-oxidanylpropyl]spiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-3',13,17
MOLECULAR FORMULA: C46H74O12
MOLECULAR WEIGHT: 819.07256
SMILES: CC[C@@H]\1CC[C@H]2C([C@H]([C@@H]([C@]3(O2)C(=O)C[C@@H]([C@@H](O3)C[C@@H](C)O)C)CC)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C\C=C1)C)O)(C)O)C)O)C)C)O)C)C
Structure:
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