CAS RN: 127231-45-2
CAS Name: (2S,3S)-2-[[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-amino-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester
OPENEYE Name: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-amino-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate
IUPAC Name: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoate
SYSTEMATIC NAME: methyl (2S,3S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoate
MOLECULAR FORMULA: C37H59N7O10
MOLECULAR WEIGHT: 761.90526
SMILES: CC[C@H](C)[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1CC([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C)O
Structure:
CAS RN: 19217-50-6
CAS Name: 3-methoxy-4-methylphenol
OPENEYE Name: 3-methoxy-4-methyl-phenol
IUPAC Name: 3-methoxy-4-methylphenol
SYSTEMATIC NAME: 3-methoxy-4-methyl-phenol
MOLECULAR FORMULA: C8H10O2
MOLECULAR WEIGHT: 138.1638
SMILES: CC1=C(C=C(C=C1)O)OC
Structure:
CAS RN: 122918-25-6
CAS Name: 6-bromo-2-pyridinecarbonitrile
OPENEYE Name: 6-bromopyridine-2-carbonitrile
IUPAC Name: 6-bromopyridine-2-carbonitrile
SYSTEMATIC NAME: 6-bromanylpyridine-2-carbonitrile
MOLECULAR FORMULA: C6H3BrN2
MOLECULAR WEIGHT: 183.00542
SMILES: C1=CC(=NC(=C1)Br)C#N
Structure:
CAS RN: 13346-70-8
CAS Name: 2-ethoxy-2-sulfanylidene-1,3,2$l^{5}-thiazaphospholidine
OPENEYE Name: 2-ethoxy-2-thioxo-1,3,2$l^{5}-thiazaphospholidine
IUPAC Name: 2-ethoxy-2-sulfanylidene-1,3,2$l^{5}-thiazaphospholidine
SYSTEMATIC NAME: 2-ethoxy-2-sulfanylidene-1,3,2$l^{5}-thiazaphospholidine
MOLECULAR FORMULA: C4H10NOPS2
MOLECULAR WEIGHT: 183.232061
SMILES: CCOP1(=S)NCCS1
Structure:
CAS RN: 128073-03-0
CAS Name: 5-chloro-2-pyridinecarbonyl chloride
OPENEYE Name: 5-chloropyridine-2-carbonyl chloride
IUPAC Name: 5-chloropyridine-2-carbonyl chloride
SYSTEMATIC NAME: 5-chloranylpyridine-2-carbonyl chloride
MOLECULAR FORMULA: C6H3Cl2NO
MOLECULAR WEIGHT: 176.00012
SMILES: C1=CC(=NC=C1Cl)C(=O)Cl
Structure:
CAS RN: 808744-34-5
CAS Name: 7-bromoimidazo[1,2-a]pyridine
OPENEYE Name: 7-bromoimidazo[1,2-a]pyridine
IUPAC Name: 7-bromoimidazo[1,2-a]pyridine
SYSTEMATIC NAME: 7-bromanylimidazo[1,2-a]pyridine
MOLECULAR FORMULA: C7H5BrN2
MOLECULAR WEIGHT: 197.032
SMILES: C1=CN2C=CN=C2C=C1Br
Structure:
CAS RN: 21900-22-1
CAS Name: 3-chloro-5-methylbenzoyl chloride
OPENEYE Name: 3-chloro-5-methyl-benzoyl chloride
IUPAC Name: 3-chloro-5-methylbenzoyl chloride
SYSTEMATIC NAME: 3-chloranyl-5-methyl-benzoyl chloride
MOLECULAR FORMULA: C8H6Cl2O
MOLECULAR WEIGHT: 189.03864
SMILES: CC1=CC(=CC(=C1)C(=O)Cl)Cl
Structure:
CAS RN: 915402-27-6
CAS Name: 3-acetylbenzoic acid methyl ester
OPENEYE Name: methyl 3-acetylbenzoate
IUPAC Name: methyl 3-acetylbenzoate
SYSTEMATIC NAME: methyl 3-ethanoylbenzoate
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: CC(=O)C1=CC(=CC=C1)C(=O)OC
Structure:
CAS RN: 137469-86-4
CAS Name: N-(1,2,3,4-tetrahydroquinolin-8-yl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(1,2,3,4-tetrahydroquinolin-8-yl)carbamate
IUPAC Name: tert-butyl N-(1,2,3,4-tetrahydroquinolin-8-yl)carbamate
SYSTEMATIC NAME: tert-butyl N-(1,2,3,4-tetrahydroquinolin-8-yl)carbamate
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CC(C)(C)OC(=O)NC1=CC=CC2=C1NCCC2
Structure:
CAS RN: 89894-23-5
CAS Name: 4-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
OPENEYE Name: 4-(4-chlorophenyl)-5-thioxo-1,2,4-triazolidin-3-one
IUPAC Name: 4-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
SYSTEMATIC NAME: 4-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
MOLECULAR FORMULA: C8H6ClN3OS
MOLECULAR WEIGHT: 227.67074
SMILES: C1=CC(=CC=C1N2C(=O)NNC2=S)Cl
Structure:
CAS RN: 13160-95-7
CAS Name: 7-bromo-6H-pyrido[2,1-a]isoindol-5-ium bromide
OPENEYE Name: 7-bromo-6H-pyrido[2,1-a]isoindol-5-ium bromide
IUPAC Name: 7-bromo-6H-pyrido[2,1-a]isoindol-5-ium bromide
SYSTEMATIC NAME: 7-bromanyl-6H-pyrido[2,1-a]isoindol-5-ium bromide
MOLECULAR FORMULA: C12H9Br2N
MOLECULAR WEIGHT: 327.01456
SMILES: C1C2=C(C=CC=C2Br)C3=CC=CC=[N+]31.[Br-]
Structure:
CAS RN: 39727-61-2
CAS Name: 2,4-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium chloride
OPENEYE Name: 2,4-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium chloride
IUPAC Name: 2,4-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium chloride
SYSTEMATIC NAME: 2,4-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium chloride
MOLECULAR FORMULA: C14H14ClN
MOLECULAR WEIGHT: 231.72066
SMILES: CC1=CC2=[N+](CC3=CC=CC=C32)C(=C1)C.[Cl-]
Structure:
CAS RN: 39727-56-5
CAS Name: 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium chloride
OPENEYE Name: 1-[(2-chlorophenyl)methyl]-2,4-dimethyl-pyridin-1-ium chloride
IUPAC Name: 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium chloride
SYSTEMATIC NAME: 1-[(2-chlorophenyl)methyl]-2,4-dimethyl-pyridin-1-ium chloride
MOLECULAR FORMULA: C14H15Cl2N
MOLECULAR WEIGHT: 268.1816
SMILES: CC1=CC(=[N+](C=C1)CC2=CC=CC=C2Cl)C.[Cl-]
Structure:
CAS RN: 39727-54-3
CAS Name: 1-[(2-chlorophenyl)methyl]-4-methylpyridin-1-ium chloride
OPENEYE Name: 1-[(2-chlorophenyl)methyl]-4-methyl-pyridin-1-ium chloride
IUPAC Name: 1-[(2-chlorophenyl)methyl]-4-methylpyridin-1-ium chloride
SYSTEMATIC NAME: 1-[(2-chlorophenyl)methyl]-4-methyl-pyridin-1-ium chloride
MOLECULAR FORMULA: C13H13Cl2N
MOLECULAR WEIGHT: 254.15502
SMILES: CC1=CC=[N+](C=C1)CC2=CC=CC=C2Cl.[Cl-]
Structure:
CAS RN: 75125-41-6
CAS Name: [(E)-[amino(nitramido)methylidene]amino]urea
OPENEYE Name: [(E)-[amino(nitramido)methylene]amino]urea
IUPAC Name: [(E)-[amino(nitramido)methylidene]amino]urea
SYSTEMATIC NAME: 1-[(E)-[azanyl(nitramido)methylidene]amino]urea
MOLECULAR FORMULA: C2H6N6O3
MOLECULAR WEIGHT: 162.10744
SMILES: C(=N\NC(=O)N)(\N)/N[N+](=O)[O-]
Structure:
CAS RN: 129156-30-5
CAS Name: 2,3,3a,4-tetrahydro-1H-cyclopenta[b]naphthalen-4-yloxy(triethyl)silane
OPENEYE Name: 2,3,3a,4-tetrahydro-1H-cyclopenta[b]naphthalen-4-yloxy(triethyl)silane
IUPAC Name: 2,3,3a,4-tetrahydro-1H-cyclopenta[b]naphthalen-4-yloxy(triethyl)silane
SYSTEMATIC NAME: 2,3,3a,4-tetrahydro-1H-cyclopenta[b]naphthalen-4-yloxy(triethyl)silane
MOLECULAR FORMULA: C19H28OSi
MOLECULAR WEIGHT: 300.51052
SMILES: CC[Si](CC)(CC)OC1C2CCCC2=CC3=CC=CC=C13
Structure:
CAS RN: 6322-27-6
CAS Name: 3-methyl-1-(1-pyridin-1-iumyl)-2-butanone iodide
OPENEYE Name: 3-methyl-1-pyridin-1-ium-1-yl-butan-2-one iodide
IUPAC Name: 3-methyl-1-pyridin-1-ium-1-ylbutan-2-one iodide
SYSTEMATIC NAME: 3-methyl-1-pyridin-1-ium-1-yl-butan-2-one iodide
MOLECULAR FORMULA: C10H14INO
MOLECULAR WEIGHT: 291.12873
SMILES: CC(C)C(=O)C[N+]1=CC=CC=C1.[I-]
Structure:
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