methyl (2S)-2-amino-5-[N'-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ylsulfonyl)carbamimidamido]pentanoate hydrochloride

CAS: 257288-19-0

Formula: C20H33ClN4O5S

SMILES: Cl.COC(=O)[C@@H](N)CCCNC(=N)NS(=O)(=O)C1=C(C)C2=C(OC(C)(C)C2)C(C)=C1C

IUPAC: methyl (2S)-2-amino-5-{N'-[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]carbamimidamido}pentanoate hydrochloride

InChI: 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

Composition: C (50.36%), H (6.97%), Cl (7.43%), N (11.75%), O (16.77%), S (6.72%)

Molar Mass: 477.02

Atom Count: 64

Heavy Atom Count: 31