3-[(4-methylazepan-1-yl)carbonylamino]-5-phenyl-pentanethioic S-acid

Systemtic Name: 3-[(4-methylazepan-1-yl)carbonylamino]-5-phenyl-pentanethioic S-acid Openeye Name: 3-[(4-methylazepane-1-carbonyl)amino]-5-phenyl-pentanethioic S-acid CAS Name: 3-[[(4-methyl-1-azepanyl)-oxomethyl]amino]-5-phenylpentanethioic S-acid IUPAC Name: 3-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanethioic S-acid Traditional Name: 3-[(4-methylazepane-1-carbonyl)amino]-5-phenyl-thiovaleric acid Formula: C19H28N2O2S MolecularWeight: 348.50282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(CC1)C(=O)NC(CCC2=CC=CC=C2)CC(=O)S

Isomeric SMILES

CC1CCCN(CC1)C(=O)NC(CCC2=CC=CC=C2)CC(=O)S

InChI

InChI=1S/C19H28N2O2S/c1-15-6-5-12-21(13-11-15)19(23)20-17(14-18(22)24)10-9-16-7-3-2-4-8-16/h2-4,7-8,15,17H,5-6,9-14H2,1H3,(H,20,23)(H,22,24)