Products 398515-96-3

CAS 398515-96-3 appears in our catalog under these names: III-31-C, III-31-C >= 98 % HPLC, solid. Offered by: Biosynth, MedChemExpress, Sigma-Aldrich. Available pack sizes: 5mg, 25mg, 10mg, 50mg, Get quote.

III-31-C
Biosynth, MedChemExpress
  • size: 5mg, 25mg, 10mg, 50mg
  • Variants: 5
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III-31-C >= 98 % HPLC, solid
Sigma-Aldrich
  • size: 5MG
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl (2S)-2-[[(2S)-2-[[benzyl-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate (CAS 398515-96-3) is a chemical compound with the molecular formula C35H52N4O7 and a molecular weight of 640.8 g/mol. IUPAC name: methyl (2S)-2-[[(2S)-2-[[benzyl-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate. InChIKey: DINAVFJXFRFCRE-ZXYZSCNASA-N.

Identity
Molecular formulaC35H52N4O7
Molecular weight640.8 g/mol
IUPAC namemethyl (2S)-2-[[(2S)-2-[[benzyl-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate
InChIKeyDINAVFJXFRFCRE-ZXYZSCNASA-N
SMILESCC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)N(CC1=CC=CC=C1)C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O

Computed by PubChem (NCBI)

Synonyms: orb2944439
Isomers (same molecular formula)
(2S)-N-[(2S)-3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide C35H52N4O7