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Chemical structure of Cardiotoxin Analog (CTX) IV 6-12

GC35609

Cardiotoxin Analog (CTX) IV 6-12

Also known as (2S)-1-[(2S)-1-[(2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

Cardiotoxin Analog (CTX) IV 6-12 is a peptide fragment of cyclophosphamide analog (CTX) IV, derived from the venom of Naja atra, and is a unique cardiotoxin analog

ChemicalCAS115722-23-1MW899.13FormulaC48H70N10O7
CAS number
115722-23-1
Molecular weight
899.13
Formula
C48H70N10O7
Solubility
100 mg/ml in water
InChIKey
IVORLIHJCUSAQL-USNVFINLSA-N
Catalogue number
GC35609
Brand
GLPBIO
Computed properties PubChem CID 3087693 · XLogP 3.4 · TPSA 268 Ų · H-bond donors 8
XLogP
3.4
TPSA
268 Ų
H-bond donors
8
H-bond acceptors
9
Rotatable bonds
23
Heavy atoms
65

SMILES CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC(C)C)N

Computed descriptors from PubChem (CID 3087693), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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