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Chemical structure of Ac2-12

GC10244

Ac2-12

Also known as (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

inhibitor of leukocyte extravasation

ChemicalCAS256447-08-2MW1351.58FormulaC63H94N14O17S
CAS number
256447-08-2
Molecular weight
1351.58
Formula
C63H94N14O17S
Solubility
Soluble to 1 mg/ml in 20% acetonitrile / Water
InChIKey
SUDAISORCUBKHK-RCVXMRHOSA-N
Catalogue number
GC10244
Brand
GLPBIO
Computed properties PubChem CID 90488718 · XLogP -2 · TPSA 525 Ų · H-bond donors 17
XLogP
-2
TPSA
525 Ų
H-bond donors
17
H-bond acceptors
19
Rotatable bonds
43
Heavy atoms
95

SMILES C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C

Computed descriptors from PubChem (CID 90488718), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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