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Home> Hot Product Listed L   > L-Phenylalaninamide,N-[(1,1-dimethylethoxy)carbonyl]glycyl-L-tryptophyl-L-methionyl-L-a-aspartyl- (9...
6440-06-8 structure

L-Phenylalaninamide,N-[(1,1-dimethylethoxy)carbonyl]glycyl-L-tryptophyl-L-methionyl-L-a-aspartyl- (9CI)

Iupac Name:1,2-dihydrotriazole-5-thione
CAS No.:6440-06-8
EINECS(EC#): 252-555-5
Molecular Weight:101.127
Molecular Formula:C17H22N6O6S (isomer)
Names and Identifiers
Synonyms

(3s)-3-[(2s)-2-[(2s)-2-(2-aminoacetamido)-3-(1h-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(2s)-1-[(tert-butoxycarbonyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl}propanoic acid (3s)-3-[[(2s)-2-[[(2s)-2-[(2-aminoacetyl)amino]-3-(1h-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2s)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid 1-Glycine pentagastrin AC1L4619 Alaninamide, N-carboxyglycyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-,N-tert-butyl ester, L- (8CI) Alaninamide,N-carboxyglycyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-butyl ester(7CI) boc-gly-trp-met-asp-phe-nh2 DTXSID30207883 Glycine-pentagastrin l-phenylalaninamide, n-((1,1-dimethylethoxy)carbonyl)glycyl-l-tryptophyl-l-methionyl-l-alpha-aspartyl- tbgtmap tertiary-butyloxycarbonyl-glycyl-tryptophyl-methionyl-aspartyl-phenylalaninamide

Inchi
InChI=1S/C2H3N3S/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)
InChkey
LLCOQBODWBFTDD-UHFFFAOYSA-N
Canonical Smiles
C1=NNNC1=S
Properties
Density
1.437
Refractive Index
1.832
Storage temp
−20°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:101.127g/mol
  • Molecular Formula:C17H22N6O6S
  • Compound Is Canonicalized:True
  • Exact Mass:101.005
  • Monoisotopic Mass:101.005
  • Complexity:97
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:68.5A^2
  • Heavy Atom Count:6
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcQBDAABAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAHAQYAAAAAADBQAQAAABiAAAk ABAhAAAAAAAAAAMQIAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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