2-[2,2-dimethyl-7-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]azepan-1-yl]ethanoic acid

Systemtic Name: 2-[2,2-dimethyl-7-oxidanylidene-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]azepan-1-yl]ethanoic acid Openeye Name: 2-[2,2-dimethyl-7-oxo-6-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]azepan-1-yl]acetic acid CAS Name: 2-[6-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-2,2-dimethyl-7-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[2,2-dimethyl-7-oxo-6-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]azepan-1-yl]acetic acid Traditional Name: 2-[7-keto-6-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-2,2-dimethyl-azepan-1-yl]acetic acid Formula: C19H26N2O4S MolecularWeight: 378.48574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C(=O)N1CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S)C

Isomeric SMILES

CC1(CCCC(C(=O)N1CC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)S)C

InChI

InChI=1S/C19H26N2O4S/c1-19(2)10-6-9-14(18(25)21(19)12-16(22)23)20-17(24)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,14-15,26H,6,9-12H2,1-2H3,(H,20,24)(H,22,23)/t14?,15-/m0/s1