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Chemical structure of HSDVHK-NH2

GC11753

HSDVHK-NH2

Also known as (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

HSDVHK-NH2 is an inhibitor of the interaction between integrin αvβ3 and vitronectin, with an IC50 value of 1·74 pg/mL (2·414 pM)

ChemicalCAS848644-86-0MW720.78FormulaC30H48N12O9
CAS number
848644-86-0
Molecular weight
720.78
Formula
C30H48N12O9
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,DMSO：PBS(pH7·2) (1：1)： 0·5 mg/ml
InChIKey
FSVRGWKWZIRBPC-KESUXUJOSA-N
Catalogue number
GC11753
Brand
GLPBIO
Computed properties PubChem CID 90488969 · XLogP -6.6 · TPSA 356 Ų · H-bond donors 12
XLogP
-6.6
TPSA
356 Ų
H-bond donors
12
H-bond acceptors
13
Rotatable bonds
23
Heavy atoms
51

SMILES CC(C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)N

Computed descriptors from PubChem (CID 90488969), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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