CAS RN: 87549-52-8
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-amino-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-
OPENEYE Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)pro
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]a
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-azanylpropanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl
MOLECULAR FORMULA: C53H83N15O12
MOLECULAR WEIGHT: 1122.31942
SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)N
Structure:
CAS RN: 87549-35-7
CAS Name: 1-[4-[2-(cyclopropylmethoxy)-1-hydroxyethyl]phenoxy]-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: 1-[4-[2-(cyclopropylmethoxy)-1-hydroxy-ethyl]phenoxy]-3-(isopropylamino)propan-2-ol
IUPAC Name: 1-[4-[2-(cyclopropylmethoxy)-1-hydroxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: 1-[4-[2-(cyclopropylmethoxy)-1-oxidanyl-ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C18H29NO4
MOLECULAR WEIGHT: 323.42716
SMILES: CC(C)NCC(COC1=CC=C(C=C1)C(COCC2CC2)O)O
Structure:
CAS RN: 87545-58-2
CAS Name: 3-[3-(2-imidazo[2,1-b][1,3]benzothiazolyl)phenoxy]-3-oxopropanoic acid
OPENEYE Name: 3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxo-propanoic acid
IUPAC Name: 3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxopropanoic acid
SYSTEMATIC NAME: 3-(3-imidazo[2,1-b][1,3]benzothiazol-2-ylphenoxy)-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C18H12N2O4S
MOLECULAR WEIGHT: 352.36388
SMILES: C1=CC=C2C(=C1)N3C=C(N=C3S2)C4=CC(=CC=C4)OC(=O)CC(=O)O
Structure:
CAS RN: 87544-68-1
CAS Name: 2-(dimethylamino)-N-[4-[(3-methyl-2-nitro-4-imidazolyl)methoxy]phenyl]acetamide
OPENEYE Name: 2-(dimethylamino)-N-[4-[(3-methyl-2-nitro-imidazol-4-yl)methoxy]phenyl]acetamide
IUPAC Name: 2-(dimethylamino)-N-[4-[(3-methyl-2-nitroimidazol-4-yl)methoxy]phenyl]acetamide
SYSTEMATIC NAME: 2-(dimethylamino)-N-[4-[(3-methyl-2-nitro-imidazol-4-yl)methoxy]phenyl]ethanamide
MOLECULAR FORMULA: C15H19N5O4
MOLECULAR WEIGHT: 333.34246
SMILES: CN1C(=CN=C1[N+](=O)[O-])COC2=CC=C(C=C2)NC(=O)CN(C)C
Structure:
CAS RN: 87536-00-3
CAS Name: 1-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[2-[(10R,13S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[2-[(10R,13S,17R)-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C26H34N2O5
MOLECULAR WEIGHT: 454.55856
SMILES: CC1=CN(C(=O)NC1=O)CC(=O)[C@]2(CCC3[C@@]2(CCC4C3CCC5=CC(=O)CC[C@]45C)C)O
Structure:
CAS RN: 87533-97-9
CAS Name: 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol
OPENEYE Name: 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol
IUPAC Name: 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol
SYSTEMATIC NAME: 4-propyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-ol
MOLECULAR FORMULA: C16H23NO
MOLECULAR WEIGHT: 245.35992
SMILES: CCCN1CCCC2C1CCC3=C2C=CC=C3O
Structure:
CAS RN: 87533-95-7
CAS Name: N-[5-(diaminomethylideneamino)-1-[[6'-[[5-(diaminomethylideneamino)-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl]amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[1-[[6'-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl]carbamoyl]-4-guanidino-butyl]carbamate
IUPAC Name: benzyl N-[5-(diaminomethylideneamino)-1-[[6'-[[5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxopentan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[5-[bis(azanyl)methylideneamino]-1-[[6'-[[5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate
MOLECULAR FORMULA: C48H50N10O9
MOLECULAR WEIGHT: 910.9722
SMILES: C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)NC(=O)C(CCCN=C(N)N)NC(=O)OCC6=CC=CC=C6)C7=CC=CC=C7C(=O)O4
Structure:
CAS RN: 87532-78-3
CAS Name: 3-methoxy-2-oxo-3-phenyl-1-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methoxy-2-oxo-3-phenyl-piperidine-1-carboxylate
IUPAC Name: ethyl 3-methoxy-2-oxo-3-phenylpiperidine-1-carboxylate
SYSTEMATIC NAME: ethyl 3-methoxy-2-oxidanylidene-3-phenyl-piperidine-1-carboxylate
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: CCOC(=O)N1CCCC(C1=O)(C2=CC=CC=C2)OC
Structure:
CAS RN: 87532-77-2
CAS Name: 3-methoxy-3-phenyl-2-piperidinone
OPENEYE Name: 3-methoxy-3-phenyl-piperidin-2-one
IUPAC Name: 3-methoxy-3-phenylpiperidin-2-one
SYSTEMATIC NAME: 3-methoxy-3-phenyl-piperidin-2-one
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: COC1(CCCNC1=O)C2=CC=CC=C2
Structure:
CAS RN: 2051-05-0
CAS Name: sulfurous acid dipentyl ester
OPENEYE Name: dipentyl sulfite
IUPAC Name: dipentyl sulfite
SYSTEMATIC NAME: dipentyl sulfite
MOLECULAR FORMULA: C10H22O3S
MOLECULAR WEIGHT: 222.34488
SMILES: CCCCCOS(=O)OCCCCC
Structure:
CAS RN: 2049-57-2
CAS Name: 1-methylethenylphosphine
OPENEYE Name: isopropenylphosphane
IUPAC Name: prop-1-en-2-ylphosphane
SYSTEMATIC NAME: prop-1-en-2-ylphosphane
MOLECULAR FORMULA: C3H7P
MOLECULAR WEIGHT: 74.061441
SMILES: CC(=C)P
Structure:
CAS RN: 2045-78-5
CAS Name: 1,3-dimethylenecyclobutane
OPENEYE Name: 1,3-dimethylenecyclobutane
IUPAC Name: 1,3-dimethylidenecyclobutane
SYSTEMATIC NAME: 1,3-dimethylidenecyclobutane
MOLECULAR FORMULA: C6H8
MOLECULAR WEIGHT: 80.12772
SMILES: C=C1CC(=C)C1
Structure:
CAS RN: 2044-37-3
CAS Name: 3,6-diethyl-4-octyne-3,6-diol
OPENEYE Name: 3,6-diethyloct-4-yne-3,6-diol
IUPAC Name: 3,6-diethyloct-4-yne-3,6-diol
SYSTEMATIC NAME: 3,6-diethyloct-4-yne-3,6-diol
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CCC(CC)(C#CC(CC)(CC)O)O
Structure:
CAS RN: 68814-95-9
CAS Name: N,N-di(nonyl)-1-nonanamine
OPENEYE Name: N,N-di(nonyl)nonan-1-amine
IUPAC Name: N,N-di(nonyl)nonan-1-amine
SYSTEMATIC NAME: N,N-di(nonyl)nonan-1-amine
MOLECULAR FORMULA: C27H57N
MOLECULAR WEIGHT: 395.74818
SMILES: CCCCCCCCCN(CCCCCCCCC)CCCCCCCCC
Structure:
CAS RN: 2044-22-6
CAS Name: N,N-di(nonyl)-1-nonanamine
OPENEYE Name: N,N-di(nonyl)nonan-1-amine
IUPAC Name: N,N-di(nonyl)nonan-1-amine
SYSTEMATIC NAME: N,N-di(nonyl)nonan-1-amine
MOLECULAR FORMULA: C27H57N
MOLECULAR WEIGHT: 395.74818
SMILES: CCCCCCCCCN(CCCCCCCCC)CCCCCCCCC
Structure:
CAS RN: 2040-73-5
CAS Name: cyclooctadecanonaene
OPENEYE Name: cyclooctadecanonaene
IUPAC Name: cyclooctadecanonaene
SYSTEMATIC NAME: cyclooctadecanonaene
MOLECULAR FORMULA: C18H18
MOLECULAR WEIGHT: 234.33552
SMILES: C1=CC=CC=CC=CC=CC=CC=CC=CC=C1
Structure:
CAS RN: 2039-80-7
CAS Name: 4-ethenyl-N,N-dimethylaniline
OPENEYE Name: N,N-dimethyl-4-vinyl-aniline
IUPAC Name: 4-ethenyl-N,N-dimethylaniline
SYSTEMATIC NAME: 4-ethenyl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C10H13N
MOLECULAR WEIGHT: 147.21692
SMILES: CN(C)C1=CC=C(C=C1)C=C
Structure:
CAS RN: 2039-49-8
CAS Name: 3,5-diphenylisoxazole
OPENEYE Name: 3,5-diphenylisoxazole
IUPAC Name: 3,5-diphenyl-1,2-oxazole
SYSTEMATIC NAME: 3,5-diphenyl-1,2-oxazole
MOLECULAR FORMULA: C15H11NO
MOLECULAR WEIGHT: 221.25394
SMILES: C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=CC=C3
Structure:
CAS RN: 2038-40-6
CAS Name: 5-methyl-9-azabicyclo[3.3.1]nonan-3-ol
OPENEYE Name: 5-methyl-9-azabicyclo[3.3.1]nonan-3-ol
IUPAC Name: 5-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SYSTEMATIC NAME: 5-methyl-9-azabicyclo[3.3.1]nonan-3-ol
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CC12CCCC(N1)CC(C2)O
Structure:
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