2-azanyl-N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-pentanamide hydrochloride

Systemtic Name: 2-azanyl-N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-pentanamide hydrochloride Openeye Name: 2-amino-N-[1-[2-(2-furylmethylsulfanyl)acetyl]pentyl]-4-methyl-pentanamide hydrochloride CAS Name: 2-amino-N-[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide hydrochloride IUPAC Name: 2-amino-N-[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-4-methylpentanamide hydrochloride Traditional Name: 2-amino-N-[1-[2-(2-furfurylthio)acetyl]pentyl]-4-methyl-valeramide hydrochloride Formula: C18H31ClN2O3S MolecularWeight: 390.96834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)N.Cl

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)N.Cl

InChI

InChI=1S/C18H30N2O3S.ClH/c1-4-5-8-16(20-18(22)15(19)10-13(2)3)17(21)12-24-11-14-7-6-9-23-14;/h6-7,9,13,15-16H,4-5,8,10-12,19H2,1-3H3,(H,20,22);1H