93413-61-7 Purity
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Specification
The molecular formula is C14H27N3O4.
The molecular weight is 301.38 g/mol.
The IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid.
The InChI is InChI=1S/C14H27N3O4/c1-7(2)6-10(14(20)21)16-13(19)11(8(3)4)17-12(18)9(5)15/h7-11H,6,15H2,1-5H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1.
The InChIKey is RFJNDTQGEJRBHO-DCAQKATOSA-N.
The Canonical SMILES is CC(C)CC(C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C)N.
The XLogP3 value is -2.8.
H-Ala-Val-Leu-OH has 4 hydrogen bond donor counts.
H-Ala-Val-Leu-OH has 5 hydrogen bond acceptor counts.
H-Ala-Val-Leu-OH has 8 rotatable bond counts.