CAS RN: 80186-82-9
CAS Name: 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxypropyl)amino]-1,4-dioxobutyl]amino]propanimidic acid methyl ester
OPENEYE Name: methyl 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxy-propyl)amino]-4-oxo-butanoyl]amino]propanimidate
IUPAC Name: methyl 3-[[2,3-dihydroxy-4-[(3-imino-3-methoxypropyl)amino]-4-oxobutanoyl]amino]propanimidate
SYSTEMATIC NAME: methyl 3-[[4-[(3-azanylidene-3-methoxy-propyl)amino]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoyl]amino]propanimidate
MOLECULAR FORMULA: C12H22N4O6
MOLECULAR WEIGHT: 318.32628
SMILES: COC(=N)CCNC(=O)C(C(C(=O)NCCC(=N)OC)O)O
Structure:
CAS RN: 80186-81-8
CAS Name: 3-(2-aminoethylthio)-2-methylpropanoic acid
OPENEYE Name: 3-(2-aminoethylsulfanyl)-2-methyl-propanoic acid
IUPAC Name: 3-(2-aminoethylsulfanyl)-2-methylpropanoic acid
SYSTEMATIC NAME: 3-(2-azanylethylsulfanyl)-2-methyl-propanoic acid
MOLECULAR FORMULA: C6H13NO2S
MOLECULAR WEIGHT: 163.23792
SMILES: CC(CSCCN)C(=O)O
Structure:
CAS RN: 80183-07-9
CAS Name: (2S,3S,4S,5R)-6-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R)-6-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R)-6-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R)-6-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C16H19ClO9
MOLECULAR WEIGHT: 390.76966
SMILES: CC(C)(C(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2=CC=C(C=C2)Cl
Structure:
CAS RN: 80181-40-4
CAS Name: 3-pyridinecarboxylic acid [3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-hydroxypropyl] ester
OPENEYE Name: [3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propyl] pyridine-3-carboxylate
IUPAC Name: [3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] pyridine-3-carboxylate
SYSTEMATIC NAME: [3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl] pyridine-3-carboxylate
MOLECULAR FORMULA: C16H17N5O5
MOLECULAR WEIGHT: 359.33668
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(COC(=O)C3=CN=CC=C3)O
Structure:
CAS RN: 80180-68-3
CAS Name: 2-[(2-carboxy-4-nitrophenyl)diselanyl]-5-nitrobenzoic acid
OPENEYE Name: 2-[(2-carboxy-4-nitro-phenyl)diselanyl]-5-nitro-benzoic acid
IUPAC Name: 2-[(2-carboxy-4-nitrophenyl)diselanyl]-5-nitrobenzoic acid
SYSTEMATIC NAME: 2-[(2-carboxy-4-nitro-phenyl)diselanyl]-5-nitro-benzoic acid
MOLECULAR FORMULA: C14H8N2O8Se2
MOLECULAR WEIGHT: 490.14192
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)[Se][Se]C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 80180-63-8
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C30H40N4O6S
MOLECULAR WEIGHT: 584.7268
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CCSC)NC=O
Structure:
CAS RN: 80173-34-8
CAS Name: 3-hydroxy-2-propylpentanoic acid ethyl ester
OPENEYE Name: ethyl 3-hydroxy-2-propyl-pentanoate
IUPAC Name: ethyl 3-hydroxy-2-propylpentanoate
SYSTEMATIC NAME: ethyl 3-oxidanyl-2-propyl-pentanoate
MOLECULAR FORMULA: C10H20O3
MOLECULAR WEIGHT: 188.264
SMILES: CCCC(C(CC)O)C(=O)OCC
Structure:
CAS RN: 80173-27-9
CAS Name: (2S)-2-amino-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-(phenylmethylthio)propanamide
OPENEYE Name: (2S)-2-amino-3-benzylsulfanyl-N-(4-methyl-2-oxo-chromen-7-yl)propanamide
IUPAC Name: (2S)-2-amino-3-benzylsulfanyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-(phenylmethylsulfanyl)propanamide
MOLECULAR FORMULA: C20H20N2O3S
MOLECULAR WEIGHT: 368.4494
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H](CSCC3=CC=CC=C3)N
Structure:
CAS RN: 80168-39-4
CAS Name: 1-decyl-3-pyrazolidinone
OPENEYE Name: 1-decylpyrazolidin-3-one
IUPAC Name: 1-decylpyrazolidin-3-one
SYSTEMATIC NAME: 1-decylpyrazolidin-3-one
MOLECULAR FORMULA: C13H26N2O
MOLECULAR WEIGHT: 226.35834
SMILES: CCCCCCCCCCN1CCC(=O)N1
Structure:
CAS RN: 80161-47-3
CAS Name: 2-[2-[acetyl-[(3-acetyloxy-2-pyridinyl)-oxomethyl]amino]-3-acetyloxyphenyl]-1,3-benzoxazole-4-carboxylic acid
OPENEYE Name: 2-[3-acetoxy-2-[(3-acetoxypyridine-2-carbonyl)-acetyl-amino]phenyl]-1,3-benzoxazole-4-carboxylic acid
IUPAC Name: 2-[2-[acetyl-(3-acetyloxypyridine-2-carbonyl)amino]-3-acetyloxyphenyl]-1,3-benzoxazole-4-carboxylic acid
SYSTEMATIC NAME: 2-[3-acetyloxy-2-[(3-acetyloxypyridin-2-yl)carbonyl-ethanoyl-amino]phenyl]-1,3-benzoxazole-4-carboxylic acid
MOLECULAR FORMULA: C26H19N3O9
MOLECULAR WEIGHT: 517.44376
SMILES: CC(=O)N(C1=C(C=CC=C1OC(=O)C)C2=NC3=C(C=CC=C3O2)C(=O)O)C(=O)C4=C(C=CC=N4)OC(=O)C
Structure:
CAS RN: 80156-61-2
CAS Name: 2-amino-8-(1-naphthalenylamino)-3,7-dihydropurin-6-one
OPENEYE Name: 2-amino-8-(1-naphthylamino)-3,7-dihydropurin-6-one
IUPAC Name: 2-amino-8-(naphthalen-1-ylamino)-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 2-azanyl-8-(naphthalen-1-ylamino)-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C15H12N6O
MOLECULAR WEIGHT: 292.29538
SMILES: C1=CC=C2C(=C1)C=CC=C2NC3=NC4=C(N3)C(=O)N=C(N4)N
Structure:
CAS RN: 844-20-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H17NO3
MOLECULAR WEIGHT: 295.33248
SMILES: COC1=C2CCN[C@H]3C2=C(C4=CC=CC=C4C3)C5=C1OCO5
Structure:
CAS RN: 56421-06-8
CAS Name: (1R,5R,6R)-5-bromo-7-oxabicyclo[4.1.0]heptane
OPENEYE Name: (1R,5R,6R)-5-bromo-7-oxabicyclo[4.1.0]heptane
IUPAC Name: (1R,5R,6R)-5-bromo-7-oxabicyclo[4.1.0]heptane
SYSTEMATIC NAME: (1R,5R,6R)-5-bromanyl-7-oxabicyclo[4.1.0]heptane
MOLECULAR FORMULA: C6H9BrO
MOLECULAR WEIGHT: 177.03906
SMILES: C1C[C@@H]2[C@@H](O2)[C@@H](C1)Br
Structure:
CAS RN: 84333-59-5
CAS Name: [(2R)-2,3-bis[1-oxo-4-(4-pyrenyl)butoxy]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-2,3-bis(4-pyren-4-ylbutanoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-2,3-bis(4-pyren-4-ylbutanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-2,3-bis(4-pyren-4-ylbutanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C48H48NO8P
MOLECULAR WEIGHT: 797.870381
SMILES: C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](COC(=O)CCCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3)OC(=O)CCCC5=CC6=CC=CC7=C6C8=C(C=CC=C58)C=C7
Structure:
No comments:
Post a Comment