25693-39-4 Purity
---
If you have any other questions or need other size, please get a quote.
Specification
PubChem CID 56587810.
The molecular formula is C20H33ClN4O5S.
The molecular weight is 477.0 g/mol.
The IUPAC Name is methyl (2S)-2-amino-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]pentanoate;hydrochloride.
The InChI is InChI=1S/C20H32N4O5S.ClH/c1-11-12(2)17(13(3)14-10-20(4,5)29-16(11)14)30(26,27)24-19(22)23-9-7-8-15(21)18(25)28-6;/h15H,7-10,21H2,1-6H3,(H3,22,23,24);1H/t15-;/m0./s1.
The InChIKey is YPQBZJQUKCGWKC-RSAXXLAASA-N.
The canonical SMILES is CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC(C(=O)OC)N)N)C.Cl.
The hydrogen bond donor count is 4.
Yes, H-Arg(pbf)-ome hydrochloride is canonicalized.