CAS RN: 94200-92-7
CAS Name: 4-[4-(2-methylbutan-2-yl)-1-cyclohexenyl]-2-butanone
OPENEYE Name: 4-[4-(1,1-dimethylpropyl)cyclohexen-1-yl]butan-2-one
IUPAC Name: 4-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]butan-2-one
SYSTEMATIC NAME: 4-[4-(2-methylbutan-2-yl)cyclohexen-1-yl]butan-2-one
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: CCC(C)(C)C1CCC(=CC1)CCC(=O)C
Structure:
CAS RN: 94200-78-9
CAS Name: 1,5-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrobromide
OPENEYE Name: 1,5-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrobromide
IUPAC Name: 1,5-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrobromide
SYSTEMATIC NAME: 1,5-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol hydrobromide
MOLECULAR FORMULA: C17H15BrN2O
MOLECULAR WEIGHT: 343.2178
SMILES: CC1=C2C(=CC3=C1C=CN=C3C)C4=C(N2)C=CC(=C4)O.Br
Structure:
CAS RN: 94159-68-9
CAS Name: ammonium; 4-oxo-4-[1-[[(Z)-1-oxooctadec-9-enyl]amino]propan-2-yloxy]-3-sulfonatobutanoate; propan-2-ylammonium
OPENEYE Name: ammonium; isopropylammonium; 4-[1-methyl-2-[[(Z)-octadec-9-enoyl]amino]ethoxy]-4-oxo-3-sulfonato-butanoate
IUPAC Name: azanium; 4-[1-[[(Z)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxo-3-sulfonatobutanoate; propan-2-ylazanium
SYSTEMATIC NAME: azanium; 4-[1-[[(Z)-octadec-9-enoyl]amino]propan-2-yloxy]-4-oxidanylidene-3-sulfonato-butanoate; propan-2-ylazanium
MOLECULAR FORMULA: C28H57N3O8S
MOLECULAR WEIGHT: 595.83248
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCC(C)OC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].CC(C)[NH3+].[NH4+]
Structure:
CAS RN: 94158-60-8
CAS Name: dodecyl(trimethyl)ammonium; 2,2,3,3-tetrafluoropropanoate
OPENEYE Name: dodecyl(trimethyl)ammonium; 2,2,3,3-tetrafluoropropanoate
IUPAC Name: dodecyl(trimethyl)azanium; 2,2,3,3-tetrafluoropropanoate
SYSTEMATIC NAME: dodecyl(trimethyl)azanium; 2,2,3,3-tetrakis(fluoranyl)propanoate
MOLECULAR FORMULA: C18H35F4NO2
MOLECULAR WEIGHT: 373.469613
SMILES: CCCCCCCCCCCC[N+](C)(C)C.C(C(C(=O)[O-])(F)F)(F)F
Structure:
CAS RN: 94135-97-4
CAS Name: 2-methyl-2-(4-methyl-1-cyclohex-3-enyl)-3-pentanol
OPENEYE Name: 2-methyl-2-(4-methylcyclohex-3-en-1-yl)pentan-3-ol
IUPAC Name: 2-methyl-2-(4-methylcyclohex-3-en-1-yl)pentan-3-ol
SYSTEMATIC NAME: 2-methyl-2-(4-methylcyclohex-3-en-1-yl)pentan-3-ol
MOLECULAR FORMULA: C13H24O
MOLECULAR WEIGHT: 196.32906
SMILES: CCC(C(C)(C)C1CCC(=CC1)C)O
Structure:
CAS RN: 94133-75-2
CAS Name: 2-(4-chloro-2-methylphenoxy)propanoate; methylammonium
OPENEYE Name: 2-(4-chloro-2-methyl-phenoxy)propanoate; methylammonium
IUPAC Name: 2-(4-chloro-2-methylphenoxy)propanoate; methylazanium
SYSTEMATIC NAME: 2-(4-chloranyl-2-methyl-phenoxy)propanoate; methylazanium
MOLECULAR FORMULA: C11H16ClNO3
MOLECULAR WEIGHT: 245.70264
SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)[O-].C[NH3+]
Structure:
CAS RN: 94109-23-6
CAS Name: 1-[(2Z)-2-(5,7-dichloro-9-oxo-2-phenyl-3-pyrazolo[5,1-b]quinazolinylidene)hydrazinyl]anthracene-9,10-dione
OPENEYE Name: 1-[(2Z)-2-(5,7-dichloro-9-oxo-2-phenyl-pyrazolo[5,1-b]quinazolin-3-ylidene)hydrazino]anthracene-9,10-dione
IUPAC Name: 1-[(2Z)-2-(5,7-dichloro-9-oxo-2-phenylpyrazolo[5,1-b]quinazolin-3-ylidene)hydrazinyl]anthracene-9,10-dione
SYSTEMATIC NAME: 1-[(2Z)-2-[5,7-bis(chloranyl)-9-oxidanylidene-2-phenyl-pyrazolo[5,1-b]quinazolin-3-ylidene]hydrazinyl]anthracene-9,10-dione
MOLECULAR FORMULA: C30H15Cl2N5O3
MOLECULAR WEIGHT: 564.3778
SMILES: C1=CC=C(C=C1)C\2=NN3C(=NC4=C(C=C(C=C4C3=O)Cl)Cl)/C2=N\NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O
Structure:
CAS RN: 94108-87-9
CAS Name: 3-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate; 2-hydroxyethylammonium
OPENEYE Name: 3-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate; 2-hydroxyethylammonium
IUPAC Name: 3-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate; 2-hydroxyethylazanium
SYSTEMATIC NAME: 3-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoate; 2-hydroxyethylazanium
MOLECULAR FORMULA: C27H55N3O4
MOLECULAR WEIGHT: 485.7433
SMILES: CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-].C(CO)[NH3+]
Structure:
CAS RN: 94094-45-8
CAS Name: 10,10-dioxo-9H-thioxanthene-3-carbonitrile
OPENEYE Name: 10,10-dioxo-9H-thioxanthene-3-carbonitrile
IUPAC Name: 10,10-dioxo-9H-thioxanthene-3-carbonitrile
SYSTEMATIC NAME: 10,10-bis(oxidanylidene)-9H-thioxanthene-3-carbonitrile
MOLECULAR FORMULA: C14H9NO2S
MOLECULAR WEIGHT: 255.29176
SMILES: C1C2=C(C=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C31
Structure:
CAS RN: 94070-94-7
CAS Name: acetic acid [4-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-2-methylcyclohexyl] ester
OPENEYE Name: [4-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-2-methyl-cyclohexyl] acetate
IUPAC Name: [4-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-2-methylcyclohexyl] acetate
SYSTEMATIC NAME: [4-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-2-methyl-cyclohexyl] ethanoate
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: CC1CC(CCC1OC(=O)C)C2CC(C3CCCC3C2C)C
Structure:
CAS RN: 94042-99-6
CAS Name: diethylammonium; 2-(2,4,5-trichlorophenoxy)propanoate
OPENEYE Name: diethylammonium; 2-(2,4,5-trichlorophenoxy)propanoate
IUPAC Name: diethylazanium; 2-(2,4,5-trichlorophenoxy)propanoate
SYSTEMATIC NAME: diethylazanium; 2-[2,4,5-tris(chloranyl)phenoxy]propanoate
MOLECULAR FORMULA: C13H18Cl3NO3
MOLECULAR WEIGHT: 342.64592
SMILES: CC[NH2+]CC.CC(C(=O)[O-])OC1=CC(=C(C=C1Cl)Cl)Cl
Structure:
CAS RN: 94021-92-8
CAS Name: 2-[(8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalen-2-yl)methylideneamino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[(8,8-dimethyldecalin-2-yl)methyleneamino]benzoate
IUPAC Name: methyl 2-[(8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalen-2-yl)methylideneamino]benzoate
SYSTEMATIC NAME: methyl 2-[(8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalen-2-yl)methylideneamino]benzoate
MOLECULAR FORMULA: C21H29NO2
MOLECULAR WEIGHT: 327.46046
SMILES: CC1(CCCC2C1CC(CC2)C=NC3=CC=CC=C3C(=O)OC)C
Structure:
CAS RN: 94021-71-3
CAS Name: 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-2-yl)methylideneamino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-2-yl)methyleneamino]benzoate
IUPAC Name: methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-2-yl)methylideneamino]benzoate
SYSTEMATIC NAME: methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-2-yl)methylideneamino]benzoate
MOLECULAR FORMULA: C21H27NO2
MOLECULAR WEIGHT: 325.44458
SMILES: CC1(CCC=C2C1CCC(C2)C=NC3=CC=CC=C3C(=O)OC)C
Structure:
CAS RN: 94021-69-9
CAS Name: 2-[(8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalen-1-yl)methylideneamino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[(8,8-dimethyldecalin-1-yl)methyleneamino]benzoate
IUPAC Name: methyl 2-[(8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalen-1-yl)methylideneamino]benzoate
SYSTEMATIC NAME: methyl 2-[(8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalen-1-yl)methylideneamino]benzoate
MOLECULAR FORMULA: C21H29NO2
MOLECULAR WEIGHT: 327.46046
SMILES: CC1(CCCC2C1C(CCC2)C=NC3=CC=CC=C3C(=O)OC)C
Structure:
CAS RN: 94021-67-7
CAS Name: 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methyleneamino]benzoate
IUPAC Name: methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate
SYSTEMATIC NAME: methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate
MOLECULAR FORMULA: C21H27NO2
MOLECULAR WEIGHT: 325.44458
SMILES: CC1(CCC=C2C1CCCC2C=NC3=CC=CC=C3C(=O)OC)C
Structure:
CAS RN: 93981-23-8
CAS Name: 3-chloro-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one
OPENEYE Name: 3-chloro-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one
IUPAC Name: 3-chloro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
SYSTEMATIC NAME: 3-chloranyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
MOLECULAR FORMULA: C8H11ClO2
MOLECULAR WEIGHT: 174.62474
SMILES: C1CCC2C(C1)C(C(=O)O2)Cl
Structure:
CAS RN: 93980-72-4
CAS Name: 3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-2-butanol
OPENEYE Name: 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
IUPAC Name: 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
SYSTEMATIC NAME: 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
MOLECULAR FORMULA: C14H26O
MOLECULAR WEIGHT: 210.35564
SMILES: CC1=CCCC(C1CC(C)C(C)O)(C)C
Structure:
CAS RN: 93964-84-2
CAS Name: formic acid 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl ester
OPENEYE Name: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl formate
IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl formate
SYSTEMATIC NAME: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl methanoate
MOLECULAR FORMULA: C9H14O2
MOLECULAR WEIGHT: 154.20626
SMILES: C1CC2CCC(C2C1)OC=O
Structure:
CAS RN: 93964-82-0
CAS Name: pentanoic acid 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl ester
OPENEYE Name: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl pentanoate
IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl pentanoate
SYSTEMATIC NAME: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl pentanoate
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CCCCC(=O)OC1CCC2C1CCC2
Structure:
CAS RN: 93964-81-9
CAS Name: 2-methylpropanoic acid 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl ester
OPENEYE Name: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl 2-methylpropanoate
IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl 2-methylpropanoate
SYSTEMATIC NAME: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl 2-methylpropanoate
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CC(C)C(=O)OC1CCC2C1CCC2
Structure:
CAS RN: 93964-80-8
CAS Name: propanoic acid 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl ester
OPENEYE Name: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl propanoate
IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl propanoate
SYSTEMATIC NAME: 1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl propanoate
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CCC(=O)OC1CCC2C1CCC2
Structure:
CAS RN: 93941-78-7
CAS Name: 2-(2,4-dichlorophenoxy)propanoate; diethylammonium
OPENEYE Name: 2-(2,4-dichlorophenoxy)propanoate; diethylammonium
IUPAC Name: 2-(2,4-dichlorophenoxy)propanoate; diethylazanium
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]propanoate; diethylazanium
MOLECULAR FORMULA: C13H19Cl2NO3
MOLECULAR WEIGHT: 308.20086
SMILES: CC[NH2+]CC.CC(C(=O)[O-])OC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 59677-74-6
CAS Name: 5,7-dihydroxy-8-methyl-4-oxo-2-phenyl-1-benzopyran-6-carboxaldehyde
OPENEYE Name: 5,7-dihydroxy-8-methyl-4-oxo-2-phenyl-chromene-6-carbaldehyde
IUPAC Name: 5,7-dihydroxy-8-methyl-4-oxo-2-phenylchromene-6-carbaldehyde
SYSTEMATIC NAME: 8-methyl-5,7-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromene-6-carbaldehyde
MOLECULAR FORMULA: C17H12O5
MOLECULAR WEIGHT: 296.27418
SMILES: CC1=C(C(=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)C=O)O
Structure:
CAS RN: 55811-27-3
CAS Name: 4-[3-ethyl-2-[(E,3E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-6-(trifluoromethyl)-1-benzimidazol-3-iumyl]-1-butanesulfonate
OPENEYE Name: 4-[3-ethyl-2-[(E,3E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]butane-1-sulfonate
IUPAC Name: 4-[3-ethyl-2-[(E,3E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]butane-1-sulfonate
SYSTEMATIC NAME: 4-[3-ethyl-2-[(E,3E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-6-(trifluoromethyl)benzimidazol-3-ium-1-yl]butane-1-sulfonate
MOLECULAR FORMULA: C32H32F3N3O4S
MOLECULAR WEIGHT: 611.67439
SMILES: CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C/C=C/C4=[N+](C5=C(N4CCCCS(=O)(=O)[O-])C=C(C=C5)C(F)(F)F)CC
Structure:
CAS RN: 71033-52-8
CAS Name: acetic acid; N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[methyl-[[(2S)-1-methyl-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-o
OPENEYE Name: acetic acid; benzyl N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-benzyl-2-[[(1S)-1-[[(1S)-4-guanidino-1-[methyl-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamoyl]butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-benzyloxyphenyl)methyl]-2-oxo-e
IUPAC Name: acetic acid; benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[methyl-[(2S)-1-methylpyrrolidine-2-carbonyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1
SYSTEMATIC NAME: ethanoic acid; (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[methyl-[(2S)-1-methylpyrrolidin-2-yl]carbonyl-amino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]ami
MOLECULAR FORMULA: C71H91N13O15
MOLECULAR WEIGHT: 1366.56034
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(C)C(=O)[C@@H]1CCCN1C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)OCC7=CC=CC=C7.CC(=O)O
Structure:
CAS RN: 64153-17-9
CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[[(2S)-1-ethyl-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxy
OPENEYE Name: benzyl N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1R)-1-benzyl-2-[[(1S)-1-[[(1S)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-benzyloxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydro
IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(4-phenylmetho
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-ethylpyrrolidin-2-yl]carbonylamino]-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-ph
MOLECULAR FORMULA: C69H88ClN13O13
MOLECULAR WEIGHT: 1342.96932
SMILES: CCN1CCC[C@H]1C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)OCC7=CC=CC=C7.Cl
Structure:
CAS RN: 70601-54-6
CAS Name: acetic acid; N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-1-oxo-3-(2,3,4,5,6-pentamethylphenyl)propyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-[[(2S)-1-ethyl-2-pyrrolidinyl]-oxomethyl]amino]-1-ox
OPENEYE Name: acetic acid; benzyl N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(2,3,4,5,6-pentamethylphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]-[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-[(4-benzyloxyphenyl)met
IUPAC Name: acetic acid; benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(2,3,4,5,6-pentamethylphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-[(2S)-1-ethylpyrrolidine-2-carbonyl]amino]-1-oxo-3-(4-
SYSTEMATIC NAME: ethanoic acid; (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2R)-2-azanyl-3-(2,3,4,5,6-pentamethylphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]-[(2S)-1-ethylpyrrolidin-2-yl]carbonyl-
MOLECULAR FORMULA: C76H101N13O15
MOLECULAR WEIGHT: 1436.69324
SMILES: CCN1CCC[C@H]1C(=O)N(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=C(C(=C(C(=C2C)C)C)C)C)N)C(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)OCC7=CC=CC=C7.CC(=O)O
Structure:
CAS RN: 70601-60-4
CAS Name: acetic acid; N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-(2,3,4,5,6-pentamethylphenyl)propyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-[(1-ethyl-2-pyrrolidinyl)-oxomethyl]amino]-1-oxo-3-(
OPENEYE Name: acetic acid; benzyl N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(2,3,4,5,6-pentamethylphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]-(1-ethylpyrrolidine-2-carbonyl)amino]-1-[(4-benzyloxyphenyl)methyl]-
IUPAC Name: acetic acid; benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(2,3,4,5,6-pentamethylphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-(1-ethylpyrrolidine-2-carbonyl)amino]-1-oxo-3-(4-pheny
SYSTEMATIC NAME: ethanoic acid; (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(2,3,4,5,6-pentamethylphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]-(1-ethylpyrrolidin-2-yl)carbonyl-amino
MOLECULAR FORMULA: C76H101N13O15
MOLECULAR WEIGHT: 1436.69324
SMILES: CCN1CCCC1C(=O)N(C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=C(C(=C(C(=C2C)C)C)C)C)N)C(=O)[C@H](CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)OCC7=CC=CC=C7.CC(=O)O
Structure:
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