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Chemical structure of Mad1 (6-21)

GC69424

Mad1 (6-21)

Also known as (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Mad1 (6-21) is a 6-21 amino acid fragment of the Mad1 protein· Mad1 (6-21) binds to mammalian Sin3A PAH2 with a Kd of approximately 29 nM

ChemicalCAS880150-82-3MW1966.29FormulaC84H140N24O26S2
CAS number
880150-82-3
Molecular weight
1966.29
Formula
C84H140N24O26S2
InChIKey
ZBAJHFNGYUVVPZ-ZJZZMTSFSA-N
Catalogue number
GC69424
Brand
GLPBIO
Computed properties PubChem CID 168013263 · XLogP -5.2 · TPSA 893 Ų · H-bond donors 29
XLogP
-5.2
TPSA
893 Ų
H-bond donors
29
H-bond acceptors
31
Rotatable bonds
70
Heavy atoms
136

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)N

Computed descriptors from PubChem (CID 168013263), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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