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Chemical structure of Mca-SEVNLDAEFK(Dnp)-NH2

GC76567

Mca-SEVNLDAEFK(Dnp)-NH2

Also known as (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-amino-6-(2,4-dinitroanilino)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Mca-SEVNLDAEFK(Dnp)-NH2 contains a highly fluorescent 7-methoxycoumarin group that is efficiently quenched by resonance energy transfer to the 2,4-dinitrophenyl group

ChemicalCAS1802078-32-5MW1532.52FormulaC68H89N15O26
CAS number
1802078-32-5
Molecular weight
1532.52
Formula
C68H89N15O26
Solubility
DMSO： 1·25 mg/mL (0·82 mM; Need ultrasonic)
InChIKey
OWUYBLXUXZOXPL-PKEZMKBBSA-N
Catalogue number
GC76567
Brand
GLPBIO
Computed properties PubChem CID 131849986 · XLogP -0.3 · TPSA 649 Ų · H-bond donors 17
XLogP
-0.3
TPSA
649 Ų
H-bond donors
17
H-bond acceptors
27
Rotatable bonds
45
Heavy atoms
109

SMILES C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Computed descriptors from PubChem (CID 131849986), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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