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N-Acetyl-beta-alanyl-L-histidyl-L-seryl-L-histidine

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Catalog Number	CI-BP-0008
Product Name	N-Acetyl-beta-alanyl-L-histidyl-L-seryl-L-histidine
CAS	820959-17-9
Structure
Synonyms	Acetyl tetrapeptide-5
IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Molecular Weight	492.49 g/mol
Molecular Formula	C20H28N8O7
InChI	InChI=1S/C20H28N8O7/c1-11(30)23-3-2-17(31)26-14(4-12-6-21-9-24-12)18(32)28-16(8-29)19(33)27-15(20(34)35)5-13-7-22-10-25-13/h6-7,9-10,14-16,29H,2-5,8H2,1H3,(H,21,24)(H,22,25)(H,23,30)(H,26,31)(H,27,33)(H,28,32)(H,34,35)/t14-,15-,16-/m0/s1
InChI Key	ROTFCACGLKOUGI-JYJNAYRXSA-N
Boiling Point	1237.3±65.0 °C
Purity	0.95
Density	1.44 g/mL
Appearance	Solid
Isomeric SMILES	CC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)O
pKa	2.76±0.10

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