Products 625827-91-0

CAS 625827-91-0 appears in our catalog under these names: Ec 089, 97%, EC089. Offered by: Chemat Brand, Biosynth, MedChemExpress. Available pack sizes: on request, 10mg, 5mg, 25mg, 50mg, Get quote.

Ec 089, 97%
Chemat Brand
  • size: on request
  • Variants: 1
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EC089
Biosynth, MedChemExpress
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CAS 625827-91-0) is a chemical compound with the molecular formula C36H46N14O14S and a molecular weight of 930.9 g/mol. IUPAC name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid. InChIKey: HEPJURCEHYKKAB-YFNVTMOMSA-N.

Identity
Molecular formulaC36H46N14O14S
Molecular weight930.9 g/mol
IUPAC name(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
InChIKeyHEPJURCEHYKKAB-YFNVTMOMSA-N
SMILESC1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N

Computed by PubChem (NCBI)

Synonyms: orb1988378