CAS RN: 13408-80-5
CAS Name: cobalt(3+); [5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [2-methyl-2-[[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-i
OPENEYE Name: cobaltic [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [2-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-
IUPAC Name: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [2-methyl-2-[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]
SYSTEMATIC NAME: cobalt(3+); [5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [2-methyl-2-[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-tetrah
MOLECULAR FORMULA: C64H90CoN14O14P
MOLECULAR WEIGHT: 1369.391761
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OCC(C)(C)NC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)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)O.[C-]#N.[Co+3]
Structure:
CAS RN: 2238-88-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H29N3O4S
MOLECULAR WEIGHT: 455.56976
SMILES: CN(C)CCCN1CCCN2C3=CC=CC=C3SC4=CC=CC1=C42.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 1431-30-7
CAS Name: 2-[2,3-dichloro-4-[(E)-2-ethyl-1-oxobut-2-enyl]phenoxy]acetic acid
OPENEYE Name: 2-[2,3-dichloro-4-[(E)-2-ethylbut-2-enoyl]phenoxy]acetic acid
IUPAC Name: 2-[2,3-dichloro-4-[(E)-2-ethylbut-2-enoyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[2,3-bis(chloranyl)-4-[(E)-2-ethylbut-2-enoyl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C14H14Cl2O4
MOLECULAR WEIGHT: 317.16456
SMILES: CC/C(=C\C)/C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl
Structure:
CAS RN: 821-42-1
CAS Name: (E)-2-pentenedial
OPENEYE Name: (E)-pent-2-enedial
IUPAC Name: (E)-pent-2-enedial
SYSTEMATIC NAME: (E)-pent-2-enedial
MOLECULAR FORMULA: C5H6O2
MOLECULAR WEIGHT: 98.09994
SMILES: C(/C=C/C=O)C=O
Structure:
CAS RN: 155330-43-1
CAS Name: [(E)-6-cyclopropylidene-3-methylhex-2-enyl] phosphono hydrogen phosphate
OPENEYE Name: [(E)-6-cyclopropylidene-3-methyl-hex-2-enyl] phosphono hydrogen phosphate
IUPAC Name: [(E)-6-cyclopropylidene-3-methylhex-2-enyl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [(E)-6-cyclopropylidene-3-methyl-hex-2-enyl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H18O7P2
MOLECULAR WEIGHT: 312.193242
SMILES: C/C(=C\COP(=O)(O)OP(=O)(O)O)/CCC=C1CC1
Structure:
CAS RN: 155111-90-3
CAS Name: (2E,4E)-5-(2,6,8-trimethyl-1-oxo-4a,5,6,7,8,8a-hexahydronaphthalen-2-yl)penta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-5-(2,6,8-trimethyl-1-oxo-4a,5,6,7,8,8a-hexahydronaphthalen-2-yl)penta-2,4-dienoic acid
IUPAC Name: (2E,4E)-5-(2,6,8-trimethyl-1-oxo-4a,5,6,7,8,8a-hexahydronaphthalen-2-yl)penta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-5-(2,6,8-trimethyl-1-oxidanylidene-4a,5,6,7,8,8a-hexahydronaphthalen-2-yl)penta-2,4-dienoic acid
MOLECULAR FORMULA: C18H24O3
MOLECULAR WEIGHT: 288.38136
SMILES: CC1CC(C2C(C1)C=CC(C2=O)(C)/C=C/C=C/C(=O)O)C
Structure:
CAS RN: 155111-89-0
CAS Name: (2E,4E)-5-(1,3,4-trihydroxy-2,6,8-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)penta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-5-(1,3,4-trihydroxy-2,6,8-trimethyl-decalin-1-yl)penta-2,4-dienoic acid
IUPAC Name: (2E,4E)-5-(1,3,4-trihydroxy-2,6,8-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)penta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-5-[2,6,8-trimethyl-1,3,4-tris(oxidanyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]penta-2,4-dienoic acid
MOLECULAR FORMULA: C18H28O5
MOLECULAR WEIGHT: 324.41192
SMILES: CC1CC(C2C(C1)C(C(C(C2(/C=C/C=C/C(=O)O)O)C)O)O)C
Structure:
CAS RN: 155111-88-9
CAS Name: (2E,4E)-5-(2,6,8-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl)penta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-5-(2,6,8-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl)penta-2,4-dienoic acid
IUPAC Name: (2E,4E)-5-(2,6,8-trimethyl-3-oxo-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl)penta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-5-(2,6,8-trimethyl-3-oxidanylidene-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-yl)penta-2,4-dienoic acid
MOLECULAR FORMULA: C18H24O3
MOLECULAR WEIGHT: 288.38136
SMILES: CC1CC(C2C(C1)CC(=O)C(=C2/C=C/C=C/C(=O)O)C)C
Structure:
CAS RN: 154445-09-7
CAS Name: (2E,4E)-5-[2-(hydroxymethyl)-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-5-[6-(hydroxymethyl)-2,4-dimethyl-tetralin-5-yl]penta-2,4-dienoic acid
IUPAC Name: (2E,4E)-5-[2-(hydroxymethyl)-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-5-[2-(hydroxymethyl)-6,8-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]penta-2,4-dienoic acid
MOLECULAR FORMULA: C18H22O3
MOLECULAR WEIGHT: 286.36548
SMILES: CC1CC(C2=C(C1)C=CC(=C2/C=C/C=C/C(=O)O)CO)C
Structure:
CAS RN: 154445-08-6
CAS Name: (2E,4E)-5-(5-hydroxy-2,6,8-trimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)penta-2,4-dienoic acid
OPENEYE Name: (2E,4E)-5-(1-hydroxy-2,4,6-trimethyl-tetralin-5-yl)penta-2,4-dienoic acid
IUPAC Name: (2E,4E)-5-(5-hydroxy-2,6,8-trimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)penta-2,4-dienoic acid
SYSTEMATIC NAME: (2E,4E)-5-(2,6,8-trimethyl-5-oxidanyl-5,6,7,8-tetrahydronaphthalen-1-yl)penta-2,4-dienoic acid
MOLECULAR FORMULA: C18H22O3
MOLECULAR WEIGHT: 286.36548
SMILES: CC1CC(C2=C(C1O)C=CC(=C2/C=C/C=C/C(=O)O)C)C
Structure:
CAS RN: 154032-80-1
CAS Name: 2-[[(E,1R,2S,3S)-3-acetyloxy-1,2-dihydroxy-12-oxooctadec-4-enyl]amino]propanedioic acid
OPENEYE Name: 2-[[(E,1R,2S,3S)-3-acetoxy-1,2-dihydroxy-12-oxo-octadec-4-enyl]amino]propanedioic acid
IUPAC Name: 2-[[(E,1R,2S,3S)-3-acetyloxy-1,2-dihydroxy-12-oxooctadec-4-enyl]amino]propanedioic acid
SYSTEMATIC NAME: 2-[[(E,1R,2S,3S)-3-acetyloxy-1,2-bis(oxidanyl)-12-oxidanylidene-octadec-4-enyl]amino]propanedioic acid
MOLECULAR FORMULA: C23H39NO9
MOLECULAR WEIGHT: 473.55706
SMILES: CCCCCCC(=O)CCCCCC/C=C/[C@@H]([C@@H]([C@H](NC(C(=O)O)C(=O)O)O)O)OC(=O)C
Structure:
CAS RN: 153781-49-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H65NO12
MOLECULAR WEIGHT: 763.9543
SMILES: CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)O)O)C)\C
Structure:
CAS RN: 153781-48-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H67NO12
MOLECULAR WEIGHT: 777.98088
SMILES: CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)O)OC)C)\C
Structure:
CAS RN: 153715-18-5
CAS Name: (E,4R)-4-[(2S,3R,4R)-3,4-dihydroxy-5-[(E,5S)-5-hydroxy-4-methylhex-2-enyl]-2-oxanyl]-4-hydroxy-3-methyl-2-butenoic acid
OPENEYE Name: (E,4R)-4-[(2S,3R,4R)-3,4-dihydroxy-5-[(E,5S)-5-hydroxy-4-methyl-hex-2-enyl]tetrahydropyran-2-yl]-4-hydroxy-3-methyl-but-2-enoic acid
IUPAC Name: (E,4R)-4-[(2S,3R,4R)-3,4-dihydroxy-5-[(E,5S)-5-hydroxy-4-methylhex-2-enyl]oxan-2-yl]-4-hydroxy-3-methylbut-2-enoic acid
SYSTEMATIC NAME: (E,4R)-3-methyl-4-[(2S,3R,4R)-5-[(E,5S)-4-methyl-5-oxidanyl-hex-2-enyl]-3,4-bis(oxidanyl)oxan-2-yl]-4-oxidanyl-but-2-enoic acid
MOLECULAR FORMULA: C17H28O7
MOLECULAR WEIGHT: 344.40002
SMILES: C[C@@H](C(C)/C=C/CC1CO[C@H]([C@@H]([C@@H]1O)O)[C@@H](/C(=C/C(=O)O)/C)O)O
Structure:
CAS RN: 153342-21-3
CAS Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
OPENEYE Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
SYSTEMATIC NAME: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
MOLECULAR FORMULA: C15H20N2O2
MOLECULAR WEIGHT: 260.3315
SMILES: CCCC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Structure:
CAS RN: 153081-64-2
CAS Name: (5Z,9Z)-26-methyloctacosa-5,9-dienoic acid
OPENEYE Name: (5Z,9Z)-26-methyloctacosa-5,9-dienoic acid
IUPAC Name: (5Z,9Z)-26-methyloctacosa-5,9-dienoic acid
SYSTEMATIC NAME: (5Z,9Z)-26-methyloctacosa-5,9-dienoic acid
MOLECULAR FORMULA: C29H54O2
MOLECULAR WEIGHT: 434.73786
SMILES: CCC(C)CCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
Structure:
CAS RN: 153081-63-1
CAS Name: (5Z,9Z)-27-methyloctacosa-5,9-dienoic acid
OPENEYE Name: (5Z,9Z)-27-methyloctacosa-5,9-dienoic acid
IUPAC Name: (5Z,9Z)-27-methyloctacosa-5,9-dienoic acid
SYSTEMATIC NAME: (5Z,9Z)-27-methyloctacosa-5,9-dienoic acid
MOLECULAR FORMULA: C29H54O2
MOLECULAR WEIGHT: 434.73786
SMILES: CC(C)CCCCCCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
Structure:
CAS RN: 152509-78-9
CAS Name: 2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4,5-dihydrothiazole-4-carboxylic acid methyl ester
OPENEYE Name: methyl 2-[(Z)-8-hydroxy-1,3,5-trimethyl-6-oxo-8-(3,4,5-trichloro-1H-pyrrol-2-yl)oct-7-enyl]-4,5-dihydrothiazole-4-carboxylate
IUPAC Name: methyl 2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: methyl 2-[(Z)-4,6-dimethyl-9-oxidanyl-7-oxidanylidene-9-[3,4,5-tris(chloranyl)-1H-pyrrol-2-yl]non-8-en-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C20H25Cl3N2O4S
MOLECULAR WEIGHT: 495.8475
SMILES: CC(CC(C)C1=NC(CS1)C(=O)OC)CC(C)C(=O)/C=C(/C2=C(C(=C(N2)Cl)Cl)Cl)\O
Structure:
CAS RN: 152323-73-4
CAS Name: (3S)-3-[[2-[[(Z,2S)-2-[[[(3R,6R,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydrothiazolo[3,2-a]pyridin-3-yl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopent-3-enyl]amino]-1-oxoethyl]amino]-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid
OPENEYE Name: (3S)-3-[[2-[[(Z,2S)-2-[[(3R,6R,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydrothiazolo[3,2-a]pyridine-3-carbonyl]amino]-5-guanidino-pent-3-enoyl]amino]acetyl]amino]-4-[[(1S)-1-benzyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[2-[[(Z,2S)-2-[[(3R,6R,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carbonyl]amino]-5-(diaminomethylideneamino)pent-3-enoyl]amino]acetyl]amino]-4-oxo-4-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]butanoic acid
SYSTEMATIC NAME: (3S)-3-[2-[[(Z,2S)-2-[[(3R,6R,8aS)-6-azanyl-5-oxidanylidene-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-3-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pent-3-enoyl]amino]ethanoylamino]-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-3-phenyl-propan-2-
MOLECULAR FORMULA: C29H39N9O8S
MOLECULAR WEIGHT: 673.74046
SMILES: C1C[C@H]2N([C@@H](CS2)C(=O)N[C@@H](/C=C\CN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C=O)C(=O)[C@@H]1N
Structure:
CAS RN: 152053-15-1
CAS Name: (2R,4S,5S,6Z,8S)-4,5,8-trihydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
OPENEYE Name: (2R,4S,5S,6Z,8S)-4,5,8-trihydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
IUPAC Name: (2R,4S,5S,6Z,8S)-4,5,8-trihydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
SYSTEMATIC NAME: (2R,4S,5S,6Z,8S)-2-methyl-4,5,8-tris(oxidanyl)-2,3,4,5,8,9-hexahydrooxecin-10-one
MOLECULAR FORMULA: C10H16O5
MOLECULAR WEIGHT: 216.23104
SMILES: C[C@@H]1C[C@@H]([C@H](/C=C\[C@H](CC(=O)O1)O)O)O
Structure:
CAS RN: 152040-72-7
CAS Name: (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal
OPENEYE Name: (6E)-3-hydroxy-3,7,11-trimethyl-dodeca-6,10-dienal
IUPAC Name: (6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienal
SYSTEMATIC NAME: (6E)-3,7,11-trimethyl-3-oxidanyl-dodeca-6,10-dienal
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: CC(=CCC/C(=C/CCC(C)(CC=O)O)/C)C
Structure:
No comments:
Post a Comment