2-azanyl-3-(furan-3-ylmethylsulfonyl)-4-oxidanylidene-2-(phenylmethyl)-3-propyl-hexanoic acid

Systemtic Name: 2-azanyl-3-(furan-3-ylmethylsulfonyl)-4-oxidanylidene-2-(phenylmethyl)-3-propyl-hexanoic acid Openeye Name: 2-amino-2-benzyl-3-(3-furylmethylsulfonyl)-4-oxo-3-propyl-hexanoic acid CAS Name: 2-amino-3-(3-furanylmethylsulfonyl)-4-oxo-2-(phenylmethyl)-3-propylhexanoic acid IUPAC Name: 2-amino-2-benzyl-3-(furan-3-ylmethylsulfonyl)-4-oxo-3-propylhexanoic acid Traditional Name: 2-amino-2-benzyl-3-(3-furfurylsulfonyl)-4-keto-3-propyl-hexanoic acid Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-3-11-21(18(23)4-2,29(26,27)15-17-10-12-28-14-17)20(22,19(24)25)13-16-8-6-5-7-9-16/h5-10,12,14H,3-4,11,13,15,22H2,1-2H3,(H,24,25)