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Chemical structure of Alisporivir intermediate-1

GC30599

Alisporivir intermediate-1

Also known as methyl 2-[[(2S)-2-[[(E,2S,3R,4R)-3-acetyloxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[ethyl-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-4-methyloct-6-enoyl]amino]butanoyl]-methylamino]acetate

Alisporivir intermediate-1 is an intermediate in the synthesis of Alisporivir

ChemicalCAS882506-05-0MW1461.91FormulaC74H132N12O17
CAS number
882506-05-0
Molecular weight
1461.91
Formula
C74H132N12O17
Solubility
Soluble in Water
InChIKey
VJCXXMOVYUECHI-FNVMUSLKSA-N
Catalogue number
GC30599
Brand
GLPBIO
Computed properties PubChem CID 131952908 · XLogP 9 · TPSA 341 Ų · H-bond donors 4
XLogP
9
TPSA
341 Ų
H-bond donors
4
H-bond acceptors
17
Rotatable bonds
44
Heavy atoms
103

SMILES CC[C@@H](C(=O)N(C)CC(=O)OC)NC(=O)[C@H]([C@@H]([C@H](C)C/C=C/C)OC(=O)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C

Computed descriptors from PubChem (CID 131952908), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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