2-azanyl-2-[2-(furan-3-ylmethylsulfonyl)propanoyl]-3-(phenylmethyl)hexanoic acid

Systemtic Name: 2-azanyl-2-[2-(furan-3-ylmethylsulfonyl)propanoyl]-3-(phenylmethyl)hexanoic acid Openeye Name: 2-amino-3-benzyl-2-[2-(3-furylmethylsulfonyl)propanoyl]hexanoic acid CAS Name: 2-amino-2-[2-(3-furanylmethylsulfonyl)-1-oxopropyl]-3-(phenylmethyl)hexanoic acid IUPAC Name: 2-amino-3-benzyl-2-[2-(furan-3-ylmethylsulfonyl)propanoyl]hexanoic acid Traditional Name: 2-amino-3-benzyl-2-[2-(3-furfurylsulfonyl)propanoyl]hexanoic acid Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)C(C(=O)C(C)S(=O)(=O)CC2=COC=C2)(C(=O)O)N

Isomeric SMILES

CCCC(CC1=CC=CC=C1)C(C(=O)C(C)S(=O)(=O)CC2=COC=C2)(C(=O)O)N

InChI

InChI=1S/C21H27NO6S/c1-3-7-18(12-16-8-5-4-6-9-16)21(22,20(24)25)19(23)15(2)29(26,27)14-17-10-11-28-13-17/h4-6,8-11,13,15,18H,3,7,12,14,22H2,1-2H3,(H,24,25)