III-31-C

cas: 398515-96-3 — see every product listed under this CAS number, including other names

III-31-C (CAS 398515-96-3) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 25mg, 10mg, 50mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberYQA51596-5mg
cas398515-96-3
size5mg
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properties

categoryLife Sciences
sub-category 1Ligands
purityNo data
delivery time3-4 Weeks
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

Also listed as

III-31-C >= 98 % HPLC, solid Sigma-Aldrich CAS 398515-96-3