CAS RN: 148077-12-7
CAS Name: 3-[(E)-7-hydroxynon-1-enyl]-4-methyl-2H-furan-5-one
OPENEYE Name: 3-[(E)-7-hydroxynon-1-enyl]-4-methyl-2H-furan-5-one
IUPAC Name: 3-[(E)-7-hydroxynon-1-enyl]-4-methyl-2H-furan-5-one
SYSTEMATIC NAME: 4-methyl-3-[(E)-7-oxidanylnon-1-enyl]-2H-furan-5-one
MOLECULAR FORMULA: C14H22O3
MOLECULAR WEIGHT: 238.32268
SMILES: CCC(CCCC/C=C/C1=C(C(=O)OC1)C)O
Structure:
CAS RN: 147663-79-4
CAS Name: 2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one
OPENEYE Name: 2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one
IUPAC Name: 2-[(2Z,5E)-7-hydroxy-3-(hydroxymethyl)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-3-(hydroxymethyl)-2H-furan-5-one
SYSTEMATIC NAME: 3-(hydroxymethyl)-2-[(2Z,5E)-3-(hydroxymethyl)-7-methyl-7-oxidanyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dienyl]-2H-furan-5-one
MOLECULAR FORMULA: C25H38O5
MOLECULAR WEIGHT: 418.56622
SMILES: CC1=C(C(CCC1)(C)C)CCC(C)(/C=C/C/C(=C/CC2C(=CC(=O)O2)CO)/CO)O
Structure:
CAS RN: 147511-91-9
CAS Name: 7-[2-[(E)-3-(3-butylcyclopentyl)-3-hydroxyprop-1-enyl]-3-hydroxy-4,5-dioxocyclopentyl]heptanoic acid
OPENEYE Name: 7-[2-[(E)-3-(3-butylcyclopentyl)-3-hydroxy-prop-1-enyl]-3-hydroxy-4,5-dioxo-cyclopentyl]heptanoic acid
IUPAC Name: 7-[2-[(E)-3-(3-butylcyclopentyl)-3-hydroxyprop-1-enyl]-3-hydroxy-4,5-dioxocyclopentyl]heptanoic acid
SYSTEMATIC NAME: 7-[2-[(E)-3-(3-butylcyclopentyl)-3-oxidanyl-prop-1-enyl]-3-oxidanyl-4,5-bis(oxidanylidene)cyclopentyl]heptanoic acid
MOLECULAR FORMULA: C24H38O6
MOLECULAR WEIGHT: 422.55492
SMILES: CCCCC1CCC(C1)C(/C=C/C2C(C(=O)C(=O)C2O)CCCCCCC(=O)O)O
Structure:
CAS RN: 147363-82-4
CAS Name: (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
OPENEYE Name: (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
IUPAC Name: (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
SYSTEMATIC NAME: (5S,10Z)-5-propyl-1-oxa-4-azacyclopentadec-10-en-15-one
MOLECULAR FORMULA: C16H29NO2
MOLECULAR WEIGHT: 267.40696
SMILES: CCC[C@H]1CCCC/C=C\CCCC(=O)OCCN1
Structure:
CAS RN: 147317-36-0
CAS Name: (2R,4R)-2-[[(2S)-3-(2-chloro-3-hydroxy-4-methoxyphenyl)-2-(methylamino)-1-oxopropyl]-methylamino]-5-(4-hydroxyphenyl)-3-oxo-4-[[(E)-1-oxo-3-[2-[(E)-pent-2-enyl]phenyl]prop-2-enyl]amino]-2-(phenylmethyl)pentanoic acid [(2R)-3,6-dioxo-2-piperazinyl]methyl e
OPENEYE Name: [(2R)-3,6-dioxopiperazin-2-yl]methyl (2R,4R)-2-benzyl-2-[[(2S)-3-(2-chloro-3-hydroxy-4-methoxy-phenyl)-2-(methylamino)propanoyl]-methyl-amino]-5-(4-hydroxyphenyl)-3-oxo-4-[[(E)-3-[2-[(E)-pent-2-enyl]phenyl]prop-2-enoyl]amino]pentanoate
IUPAC Name: [(2R)-3,6-dioxopiperazin-2-yl]methyl (2R,4R)-2-benzyl-2-[[(2S)-3-(2-chloro-3-hydroxy-4-methoxyphenyl)-2-(methylamino)propanoyl]-methylamino]-5-(4-hydroxyphenyl)-3-oxo-4-[[(E)-3-[2-[(E)-pent-2-enyl]phenyl]prop-2-enoyl]amino]pentanoate
SYSTEMATIC NAME: [(2R)-3,6-bis(oxidanylidene)piperazin-2-yl]methyl (2R,4R)-2-[[(2S)-3-(2-chloranyl-4-methoxy-3-oxidanyl-phenyl)-2-(methylamino)propanoyl]-methyl-amino]-5-(4-hydroxyphenyl)-3-oxidanylidene-4-[[(E)-3-[2-[(E)-pent-2-enyl]phenyl]prop-2-enoyl]amino]-2-(phenylme
MOLECULAR FORMULA: C49H54ClN5O10
MOLECULAR WEIGHT: 908.43356
SMILES: CC/C=C/CC1=CC=CC=C1/C=C/C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)[C@](CC3=CC=CC=C3)(C(=O)OC[C@@H]4C(=O)NCC(=O)N4)N(C)C(=O)[C@H](CC5=C(C(=C(C=C5)OC)O)Cl)NC
Structure:
CAS RN: 147317-35-9
CAS Name: (3Z,5S,6R,9Z,11S,14R)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
OPENEYE Name: (3Z,5S,6R,9Z,11S,14R)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
IUPAC Name: (3Z,5S,6R,9Z,11S,14R)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SYSTEMATIC NAME: (3Z,5S,6R,9Z,11S,14R)-6,14-dimethyl-5,11-bis(oxidanyl)-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
MOLECULAR FORMULA: C14H20O6
MOLECULAR WEIGHT: 284.305
SMILES: C[C@@H]1CC[C@@H](/C=C\C(=O)O[C@@H]([C@H](/C=C\C(=O)O1)O)C)O
Structure:
CAS RN: 146985-82-2
CAS Name: (4aR,5S,6R,8aR)-5-[(Z)-4-carboxy-3-methylbut-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
OPENEYE Name: (4aR,5S,6R,8aR)-5-[(Z)-4-carboxy-3-methyl-but-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
IUPAC Name: (4aR,5S,6R,8aR)-5-[(Z)-4-carboxy-3-methylbut-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
SYSTEMATIC NAME: (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[(Z)-3-methyl-5-oxidanyl-5-oxidanylidene-pent-3-enyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C\C(=O)O)/C)CCC=C2C(=O)O)C
Structure:
CAS RN: 146790-55-8
CAS Name: (4Z)-4-propylidene-2,3-dihydropyrrole-2-carboxylic acid
OPENEYE Name: (4Z)-4-propylidene-2,3-dihydropyrrole-2-carboxylic acid
IUPAC Name: (4Z)-4-propylidene-2,3-dihydropyrrole-2-carboxylic acid
SYSTEMATIC NAME: (4Z)-4-propylidene-2,3-dihydropyrrole-2-carboxylic acid
MOLECULAR FORMULA: C8H11NO2
MOLECULAR WEIGHT: 153.17844
SMILES: CC/C=C\1/CC(N=C1)C(=O)O
Structure:
CAS RN: 146554-87-2
CAS Name: 7-chloro-2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]-1-indolyl]methyl]phenyl]ethenyl]quinoline hydrochloride
OPENEYE Name: 7-chloro-2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]vinyl]quinoline hydrochloride
IUPAC Name: 7-chloro-2-[(E)-2-[3-[[7-[2-(2H-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline hydrochloride
SYSTEMATIC NAME: 7-chloranyl-2-[(E)-2-[3-[[7-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]indol-1-yl]methyl]phenyl]ethenyl]quinoline hydrochloride
MOLECULAR FORMULA: C29H24Cl2N6
MOLECULAR WEIGHT: 527.44706
SMILES: C1=CC2=C(C(=C1)CCC3=NNN=N3)N(C=C2)CC4=CC=CC(=C4)/C=C/C5=NC6=C(C=CC(=C6)Cl)C=C5.Cl
Structure:
CAS RN: 146469-60-5
CAS Name: (E)-2-acetamido-N,N,4-trimethyl-2-pentenamide
OPENEYE Name: (E)-2-acetamido-N,N,4-trimethyl-pent-2-enamide
IUPAC Name: (E)-2-acetamido-N,N,4-trimethylpent-2-enamide
SYSTEMATIC NAME: (E)-2-acetamido-N,N,4-trimethyl-pent-2-enamide
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CC(C)/C=C(\C(=O)N(C)C)/NC(=O)C
Structure:
CAS RN: 146389-61-9
CAS Name: 4,7-dihydroxy-1-[(E)-4-hydroxy-3,5-dimethyl-8-phenyloct-7-enyl]-6-[(6E,12E)-1-oxotetradeca-6,12-dienoxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
OPENEYE Name: 4,7-dihydroxy-1-[(E)-4-hydroxy-3,5-dimethyl-8-phenyl-oct-7-enyl]-6-[(6E,12E)-tetradeca-6,12-dienoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
IUPAC Name: 4,7-dihydroxy-1-[(E)-4-hydroxy-3,5-dimethyl-8-phenyloct-7-enyl]-6-[(6E,12E)-tetradeca-6,12-dienoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
SYSTEMATIC NAME: 1-[(E)-3,5-dimethyl-4-oxidanyl-8-phenyl-oct-7-enyl]-4,7-bis(oxidanyl)-6-[(6E,12E)-tetradeca-6,12-dienoyl]oxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
MOLECULAR FORMULA: C39H54O13
MOLECULAR WEIGHT: 730.83826
SMILES: C/C=C/CCCC/C=C/CCCCC(=O)OC1C(C2(OC(C(C1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(C)C(C(C)C/C=C/C3=CC=CC=C3)O)O
Structure:
CAS RN: 145687-07-6
CAS Name: 2-[(E,3Z)-3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide
OPENEYE Name: 2-[(E,3Z)-3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide
IUPAC Name: 2-[(E,3Z)-3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide
SYSTEMATIC NAME: 2-[(E,3Z)-3-(3-docosyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3-propyl-1,3-benzoxazol-3-ium iodide
MOLECULAR FORMULA: C42H63IN2O2
MOLECULAR WEIGHT: 754.86629
SMILES: CCCCCCCCCCCCCCCCCCCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCC.[I-]
Structure:
CAS RN: 145177-62-4
CAS Name: (3Z,5Z,9Z,13Z,15Z)-8-hydroxy-3,5,7-trimethyl-18-(5,7,9-trihydroxy-6,8-dimethyldecan-2-yl)-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one
OPENEYE Name: (3Z,5Z,9Z,13Z,15Z)-8-hydroxy-3,5,7-trimethyl-18-(4,6,8-trihydroxy-1,5,7-trimethyl-nonyl)-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one
IUPAC Name: (3Z,5Z,9Z,13Z,15Z)-8-hydroxy-3,5,7-trimethyl-18-(5,7,9-trihydroxy-6,8-dimethyldecan-2-yl)-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one
SYSTEMATIC NAME: (3Z,5Z,9Z,13Z,15Z)-18-[6,8-dimethyl-5,7,9-tris(oxidanyl)decan-2-yl]-3,5,7-trimethyl-8-oxidanyl-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one
MOLECULAR FORMULA: C32H52O6
MOLECULAR WEIGHT: 532.75168
SMILES: CC1/C=C(\C=C(/C(=O)OC(C/C=C\C=C/CC/C=C\C1O)C(C)CCC(C(C)C(C(C)C(C)O)O)O)\C)/C
Structure:
CAS RN: 144730-82-5
CAS Name: (3E,5Z,7R,8R,9S,10S,11R,13Z,15Z,17S)-18-[(2S,3R,4S,6E,10E)-3,9-dihydroxy-4,8-dimethyl-5-oxododeca-6,10-dien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
OPENEYE Name: (3E,5Z,7R,8R,9S,10S,11R,13Z,15Z,17S)-18-[(1S,2R,3S,5E,9E)-2,8-dihydroxy-1,3,7-trimethyl-4-oxo-undeca-5,9-dienyl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
IUPAC Name: (3E,5Z,7R,8R,9S,10S,11R,13Z,15Z,17S)-18-[(2S,3R,4S,6E,10E)-3,9-dihydroxy-4,8-dimethyl-5-oxododeca-6,10-dien-2-yl]-8,10-dihydroxy-3,17-dimethoxy-5,7,9,11,13-pentamethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
SYSTEMATIC NAME: (3E,5Z,7R,8R,9S,10S,11R,13Z,15Z,17S)-18-[(2S,3R,4S,6E,10E)-4,8-dimethyl-3,9-bis(oxidanyl)-5-oxidanylidene-dodeca-6,10-dien-2-yl]-3,17-dimethoxy-5,7,9,11,13-pentamethyl-8,10-bis(oxidanyl)-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one
MOLECULAR FORMULA: C38H60O9
MOLECULAR WEIGHT: 660.8776
SMILES: C/C=C/C(C(C)/C=C/C(=O)[C@@H](C)[C@@H]([C@H](C)C1[C@H](/C=C\C=C(/C[C@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=C(\C=C(/C(=O)O1)\OC)/C)C)O)C)O)C)\C)OC)O)O
Structure:
CAS RN: 143907-82-8
CAS Name: magnesium [2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethoxy-oxidophosphoryl] hydrogen phosphate
OPENEYE Name: magnesium [2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethoxy-oxido-phosphoryl] hydrogen phosphate
IUPAC Name: magnesium [2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethoxy-oxidophosphoryl] hydrogen phosphate
SYSTEMATIC NAME: magnesium [2-[methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethoxy-oxidanidyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C19H35MgNO7P2
MOLECULAR WEIGHT: 475.736222
SMILES: CC(=CCC/C(=C/CC/C(=C/CCN(C)CCOP(=O)([O-])OP(=O)(O)[O-])/C)/C)C.[Mg+2]
Structure:
CAS RN: 143773-34-6
CAS Name: 5-[(1S,3E,5S)-3-[(2E)-2-[(3aR,7aR)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylenecyclohexyl]oxy-5-oxopentanoic acid
OPENEYE Name: 5-[(1S,3E,5S)-3-[(2E)-2-[(3aR,7aR)-1-[(1S)-1-(3-hydroxy-3-methyl-butoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylene-cyclohexoxy]-5-oxo-pentanoic acid
IUPAC Name: 5-[(1S,3E,5S)-3-[(2E)-2-[(3aR,7aR)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl]oxy-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(1S,3E,5S)-3-[(2E)-2-[(3aR,7aR)-7a-methyl-1-[(1S)-1-(3-methyl-3-oxidanyl-butoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-5-oxidanyl-cyclohexyl]oxy-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C31H48O7
MOLECULAR WEIGHT: 532.70862
SMILES: C[C@@H](C1CC[C@H]\2[C@]1(CCC/C2=C\C=C\3/C[C@@H](C[C@@H](C3=C)O)OC(=O)CCCC(=O)O)C)OCCC(C)(C)O
Structure:
CAS RN: 143591-04-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C53H60ClN3O16
MOLECULAR WEIGHT: 1030.507
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]\2COC(=O)C[C@H](C3=NC(=C(C=C3)O[C@H]4C=C5C#C/C2=C\C#C[C@H]6[C@]5([C@@H]4O[C@H]7C[C@@]([C@H]([C@@H](O7)C)O)(C)O)O6)Cl)NC(=O)C8=C(C=C9C=C(C(=C(C9=C8)OC)OC)OC(C)C)O)O)N(C)C
Structure:
CAS RN: 143481-69-0
CAS Name: [5-(1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propyl]amino]propan-2-yl pho
OPENEYE Name: cobaltic [5-(benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]prop
IUPAC Name: [5-(benzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phospha
SYSTEMATIC NAME: [5-(benzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoy
MOLECULAR FORMULA: C60H84CoN13O14P+
MOLECULAR WEIGHT: 1301.294621
SMILES: C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)([O-])OC6C(OC(C6O)N7C=NC8=CC=CC=C87)CO.[Co+3]
Structure:
CAS RN: 142808-46-6
CAS Name: (E)-4-[4-[[(cyanoamino)-methyliminomethyl]amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]-3-butenamide; oxalic acid
OPENEYE Name: (E)-4-[4-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]propyl]but-3-enamide; oxalic acid
IUPAC Name: (E)-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]but-3-enamide; oxalic acid
SYSTEMATIC NAME: (E)-4-[4-[(N-cyano-N'-methyl-carbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methyl-amino]propyl]but-3-enamide; ethanedioic acid
MOLECULAR FORMULA: C29H38N6O7
MOLECULAR WEIGHT: 582.64802
SMILES: CN=C(NC#N)NC1=CC=C(C=C1)/C=C/CC(=O)NCCCN(C)CCC2=CC(=CC(=C2)OC)OC.C(=O)(C(=O)O)O
Structure:
CAS RN: 142689-34-7
CAS Name: (2S,3S)-N'-[2-amino-4-[[(2S,3S)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxobutyl]-N'-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]-3-[[(2S)-2-[[(2R)-5-(carbamoylamino)-1-oxo-2-[[(Z)-1-oxodec-2-enyl]amino]pentyl]amino]-3-hydroxy-1-oxopropyl]amino]-2-hydroxybutane
OPENEYE Name: (2S,3S)-N'-[2-amino-4-[[(2S,3S)-2-amino-3-hydroxy-butanoyl]amino]butanoyl]-N'-[(1S)-3-amino-1-(hydroxymethyl)-3-oxo-propyl]-3-[[(2S)-2-[[(2R)-2-[[(Z)-dec-2-enoyl]amino]-5-ureido-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-2-hydroxy-butanediamide
IUPAC Name: (2S,3S)-N'-[2-amino-4-[[(2S,3S)-2-amino-3-hydroxybutanoyl]amino]butanoyl]-N'-[(2S)-4-amino-1-hydroxy-4-oxobutan-2-yl]-3-[[(2S)-2-[[(2R)-5-(carbamoylamino)-2-[[(Z)-dec-2-enoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]-2-hydroxybutanediamide
SYSTEMATIC NAME: (2S,3S)-3-[[(2S)-2-[[(2R)-5-(aminocarbonylamino)-2-[[(Z)-dec-2-enoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-N'-[2-azanyl-4-[[(2S,3S)-2-azanyl-3-oxidanyl-butanoyl]amino]butanoyl]-N'-[(2S)-4-azanyl-1-oxidanyl-4-oxidanylidene-butan-2-yl]-2-oxidan
MOLECULAR FORMULA: C35H63N11O13
MOLECULAR WEIGHT: 845.94062
SMILES: CCCCCCC/C=C\C(=O)N[C@H](CCCNC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C(=O)N)O)C(=O)N([C@@H](CC(=O)N)CO)C(=O)C(CCNC(=O)[C@H]([C@H](C)O)N)N
Structure:
CAS RN: 142674-76-8
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-[[3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-3-oxanyl] ester
OPENEYE Name: [2-[[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
IUPAC Name: [2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-[[4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-4-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C35H46O19
MOLECULAR WEIGHT: 770.72834
SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O
Structure:
CAS RN: 142666-04-4
CAS Name: (Z)-7-[(1R,2R)-2-[(E)-oct-2-enyl]-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R)-2-[(E)-oct-2-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R)-2-[(E)-oct-2-enyl]-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R)-2-[(E)-oct-2-enyl]-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCC/C=C/C[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O
Structure:
CAS RN: 142386-37-6
CAS Name: 3-[(2E,4E,6E,8E,10Z,20E)-19-carbamoyloxy-11,18-dichloro-13,14,15,17-tetrahydroxy-6,12-dimethyl-1-oxotricosa-2,4,6,8,10,20-hexaenoxy]-4-hydroxy-1-cyclohexanecarboxylic acid
OPENEYE Name: 3-[(2E,4E,6E,8E,10Z,20E)-19-carbamoyloxy-11,18-dichloro-13,14,15,17-tetrahydroxy-6,12-dimethyl-tricosa-2,4,6,8,10,20-hexaenoyl]oxy-4-hydroxy-cyclohexanecarboxylic acid
IUPAC Name: 3-[(2E,4E,6E,8E,10Z,20E)-19-carbamoyloxy-11,18-dichloro-13,14,15,17-tetrahydroxy-6,12-dimethyltricosa-2,4,6,8,10,20-hexaenoyl]oxy-4-hydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 3-[(2E,4E,6E,8E,10Z,20E)-19-aminocarbonyloxy-11,18-bis(chloranyl)-6,12-dimethyl-13,14,15,17-tetrakis(oxidanyl)tricosa-2,4,6,8,10,20-hexaenoyl]oxy-4-oxidanyl-cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C33H47Cl2NO11
MOLECULAR WEIGHT: 704.63238
SMILES: CC/C=C/C(C(C(CC(C(C(C(C)/C(=C/C=C/C=C(\C)/C=C/C=C/C(=O)OC1CC(CCC1O)C(=O)O)/Cl)O)O)O)O)Cl)OC(=O)N
Structure:
CAS RN: 141024-74-0
CAS Name: (E)-N-[2-[[2-[[1-[[1-[[2-[[1-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-4-decenamide
OPENEYE Name: (E)-N-[2-[[2-[[1-[[2-[[2-[[1-[[1-(hydroxymethyl)-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]dec-4-enamide
IUPAC Name: (E)-N-[2-[[2-[[1-[[1-[[2-[[1-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]dec-4-enamide
SYSTEMATIC NAME: (E)-N-[2-[[2-[[4-methyl-1-[[2-methyl-1-[[2-[[3-methyl-1-[(4-methyl-1-oxidanyl-pentan-2-yl)amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]am
MOLECULAR FORMULA: C38H69N7O8
MOLECULAR WEIGHT: 751.99656
SMILES: CCCCC/C=C/CCC(=O)NCC(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C(C)CC)C(=O)NC(CC(C)C)CO
Structure:
CAS RN: 140147-66-6
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2R,3R,4R,5R,6R)-4-[[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-(4-hydroxy-3-methoxy-p
IUPAC Name: [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-6-methyl-4,5-bis(oxidanyl)-3-[(2S,3R,4S,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoat
MOLECULAR FORMULA: C35H46O19
MOLECULAR WEIGHT: 770.72834
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O
Structure:
CAS RN: 140146-66-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H32N2O8
MOLECULAR WEIGHT: 500.54088
SMILES: C/C=C/1\CN2CCC34C2(CCC1C3(CO)C(=O)OC)N(C5=C4C=C(C=C5)O)C.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 139953-36-9
CAS Name: (E)-3-phenyl-2-propenoic acid [3-[[5-[[5-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-8,14,17-trihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclop
OPENEYE Name: [3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-8,14,17-trihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclop
IUPAC Name: [3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phen
SYSTEMATIC NAME: [17-(1-hydroxyethyl)-3-[4-methoxy-5-[4-methoxy-5-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-8,14,17-tris(oxidanyl)-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl]
MOLECULAR FORMULA: C51H78O17
MOLECULAR WEIGHT: 963.15482
SMILES: CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C(C4)CCC6(C5CC(C7(C6(CCC7(C(C)O)O)O)C)OC(=O)/C=C/C8=CC=CC=C8)O)C)C)C)O)OC)O
Structure:
CAS RN: 139663-56-2
CAS Name: 3-[(4Z,15Z)-8,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,10,11,12,17-octamethyl-3,10,18,19,21,24-hexahydrocorrin-3-yl]propanoic acid
OPENEYE Name: 3-[(4Z,15Z)-8,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,10,11,12,17-octamethyl-3,10,18,19,21,24-hexahydrocorrin-3-yl]propanoic acid
IUPAC Name: 3-[(4Z,15Z)-8,13,17-tris(2-carboxyethyl)-2,7,18-tris(carboxymethyl)-1,2,5,7,10,11,12,17-octamethyl-3,10,18,19,21,24-hexahydrocorrin-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[(4Z,15Z)-2,7,18-tris(2-hydroxy-2-oxoethyl)-8,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,5,7,10,11,12,17-octamethyl-3,10,18,19,21,24-hexahydrocorrin-3-yl]propanoic acid
MOLECULAR FORMULA: C45H60N4O14
MOLECULAR WEIGHT: 880.9763
SMILES: CC1C2=C(C(C(=N2)/C(=C\3/C(C(C(N3)(C4C(C(/C(=C/C5=NC1(C(=C5CCC(=O)O)C)C)/N4)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)/C)(C)CC(=O)O)CCC(=O)O
Structure:
CAS RN: 139477-52-4
CAS Name: 3-[(E)-oct-5-enyl]-3H-furan-2-one
OPENEYE Name: 3-[(E)-oct-5-enyl]-3H-furan-2-one
IUPAC Name: 3-[(E)-oct-5-enyl]-3H-furan-2-one
SYSTEMATIC NAME: 3-[(E)-oct-5-enyl]-3H-furan-2-one
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC/C=C/CCCCC1C=COC1=O
Structure:
CAS RN: 138935-21-4
CAS Name: (E)-3-[3-[5-[(E)-3-[[5-[[3,5-dihydroxy-2-(1,3,4-trihydroxy-5-oxopentan-2-yl)oxy-4-oxanyl]oxy]-3,4-dihydroxy-2-oxolanyl]methoxy]-3-oxoprop-1-enyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]-2-propenoic acid [5-[[3,5-dihydroxy-2-(1,3,4-trihydroxy
OPENEYE Name: [5-[2-[2,3-dihydroxy-1-(hydroxymethyl)-4-oxo-butoxy]-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (E)-3-[3-[5-[(E)-3-[[5-[2-[2,3-dihydroxy-1-(hydroxymethyl)-4-oxo-butoxy]-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-3,4-dihyd
IUPAC Name: [5-[3,5-dihydroxy-2-(1,3,4-trihydroxy-5-oxopentan-2-yl)oxyoxan-4-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl (E)-3-[3-[5-[(E)-3-[[5-[3,5-dihydroxy-2-(1,3,4-trihydroxy-5-oxopentan-2-yl)oxyoxan-4-yl]oxy-3,4-dihydroxyoxolan-2-yl]methoxy]-3-oxoprop-1-enyl]-2-hydro
SYSTEMATIC NAME: [5-[3,5-bis(oxidanyl)-2-[1,3,4-tris(oxidanyl)-5-oxidanylidene-pentan-2-yl]oxy-oxan-4-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl (E)-3-[3-[5-[(E)-3-[[5-[3,5-bis(oxidanyl)-2-[1,3,4-tris(oxidanyl)-5-oxidanylidene-pentan-2-yl]oxy-oxan-4-yl]oxy-3,4-bis(oxidany
MOLECULAR FORMULA: C50H66O32
MOLECULAR WEIGHT: 1179.03984
SMILES: COC1=C(C(=CC(=C1)/C=C/C(=O)OCC2OC(C(C2O)O)OC3C(C(OCC3O)OC(C(O)C(O)C=O)CO)O)C4=CC(=CC(=C4O)OC)/C=C/C(=O)OCC5OC(C(C5O)O)OC6C(C(OCC6O)OC(C(O)C(O)C=O)CO)O)O
Structure:
CAS RN: 138067-14-8
CAS Name: 2-hydroxy-N-(17-hydroxy-8,14-dimethyl-2,6,9,12,15,18-hexaoxo-4-propan-2-yl-5-oxa-1,8,11,14,17,23-hexazabicyclo[17.4.0]tricosan-3-yl)-2-[2-hydroxy-5-methoxy-6-[(E)-4,6,8-trimethyldec-2-en-2-yl]-2-oxanyl]propanamide
OPENEYE Name: 2-hydroxy-N-(17-hydroxy-4-isopropyl-8,14-dimethyl-2,6,9,12,15,18-hexaoxo-5-oxa-1,8,11,14,17,23-hexazabicyclo[17.4.0]tricosan-3-yl)-2-[2-hydroxy-5-methoxy-6-[(E)-1,3,5,7-tetramethylnon-1-enyl]tetrahydropyran-2-yl]propanamide
IUPAC Name: 2-hydroxy-N-(17-hydroxy-8,14-dimethyl-2,6,9,12,15,18-hexaoxo-4-propan-2-yl-5-oxa-1,8,11,14,17,23-hexazabicyclo[17.4.0]tricosan-3-yl)-2-[2-hydroxy-5-methoxy-6-[(E)-4,6,8-trimethyldec-2-en-2-yl]oxan-2-yl]propanamide
SYSTEMATIC NAME: N-[8,14-dimethyl-17-oxidanyl-2,6,9,12,15,18-hexakis(oxidanylidene)-4-propan-2-yl-5-oxa-1,8,11,14,17,23-hexazabicyclo[17.4.0]tricosan-3-yl]-2-[5-methoxy-2-oxidanyl-6-[(E)-4,6,8-trimethyldec-2-en-2-yl]oxan-2-yl]-2-oxidanyl-propanamide
MOLECULAR FORMULA: C43H73N7O13
MOLECULAR WEIGHT: 896.07882
SMILES: CCC(C)CC(C)CC(C)/C=C(\C)/C1C(CCC(O1)(C(C)(C(=O)NC2C(OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN(C(=O)C3CCCNN3C2=O)O)C)C)C(C)C)O)O)OC
Structure:
CAS RN: 159086-03-0
CAS Name: (2S)-2-[[(E)-5-(2-furanyl)-3-oxopent-4-enyl]amino]-3-phenylpropanoic acid butyl ester
OPENEYE Name: butyl (2S)-2-[[(E)-5-(2-furyl)-3-oxo-pent-4-enyl]amino]-3-phenyl-propanoate
IUPAC Name: butyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: butyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxidanylidene-pent-4-enyl]amino]-3-phenyl-propanoate
MOLECULAR FORMULA: C22H27NO4
MOLECULAR WEIGHT: 369.45408
SMILES: CCCCOC(=O)[C@H](CC1=CC=CC=C1)NCCC(=O)/C=C/C2=CC=CO2
Structure:
CAS RN: 149779-38-4
CAS Name: 4-[[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-oxomethyl]-2,5-dihydroxy-1,2-dihydropyrrol-3-one
OPENEYE Name: 4-[2-[(3E,5E)-2,8-dihydroxy-7-methyl-deca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-2,5-dihydroxy-1,2-dihydropyrrol-3-one
IUPAC Name: 4-[2-[(3E,5E)-2,8-dihydroxy-7-methyldeca-3,5-dienyl]-1,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-2,5-dihydroxy-1,2-dihydropyrrol-3-one
SYSTEMATIC NAME: 2,5-bis(oxidanyl)-4-[[1,6,8-trimethyl-2-[(3E,5E)-7-methyl-2,8-bis(oxidanyl)deca-3,5-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]carbonyl]-1,2-dihydropyrrol-3-one
MOLECULAR FORMULA: C29H43NO6
MOLECULAR WEIGHT: 501.65482
SMILES: CCC(C(C)/C=C/C=C/C(CC1C=CC2CC(CC(C2C1(C)C(=O)C3=C(NC(C3=O)O)O)C)C)O)O
Structure:
CAS RN: 146109-35-5
CAS Name: 9-[3-(diaminomethylideneamino)propyl]-2-ethyl-12-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
OPENEYE Name: 2-ethyl-9-(3-guanidinopropyl)-12-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
IUPAC Name: 9-[3-(diaminomethylideneamino)propyl]-2-ethyl-12-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
SYSTEMATIC NAME: 9-[3-[bis(azanyl)methylideneamino]propyl]-2-ethyl-12-[(1E,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentakis(oxidanylidene)-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
MOLECULAR FORMULA: C41H62N8O10
MOLECULAR WEIGHT: 826.97858
SMILES: CCC1C(=O)NC(C(C(=O)NC(C(=O)NC(C(C(=O)NC(CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/C(C)C(CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
Structure:
CAS RN: 145374-95-4
CAS Name: (E)-3-(3-methyl-2-oxiranyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-methyloxiran-2-yl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-methyloxiran-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-methyloxiran-2-yl)prop-2-enoic acid
MOLECULAR FORMULA: C6H8O3
MOLECULAR WEIGHT: 128.12592
SMILES: CC1C(O1)/C=C/C(=O)O
Structure:
CAS RN: 141363-26-0
CAS Name: (2Z)-2-[(1-methyl-5-nitro-2-imidazolyl)methylidene]thiolane 1,1-dioxide
OPENEYE Name: (2Z)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]thiolane 1,1-dioxide
IUPAC Name: (2Z)-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]thiolane 1,1-dioxide
SYSTEMATIC NAME: (2Z)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]thiolane 1,1-dioxide
MOLECULAR FORMULA: C9H11N3O4S
MOLECULAR WEIGHT: 257.26634
SMILES: CN1C(=CN=C1/C=C\2/CCCS2(=O)=O)[N+](=O)[O-]
Structure:
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