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

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

Formula: C20H33ClN4O5S

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

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

InChI: InChI=1/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

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

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 476.1860191
Formal Charge 0
FSP3 0.6
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 4
InChIKey YPQBZJQUKCGWKC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.84
Topological Polar Surface Area 143.6
Polarizability 45.24
Ring Count 2
Rotatable Bond Count 7

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