(2S)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[[3-(3-ethyl-1-methyl-3-azepanyl)phenoxy]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-3-hydroxy-propionic acid Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)NC(CO)C(=O)O

Isomeric SMILES

CCC1(CCCCN(C1)C)C2=CC(=CC=C2)OC(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C19H28N2O5/c1-3-19(9-4-5-10-21(2)13-19)14-7-6-8-15(11-14)26-18(25)20-16(12-22)17(23)24/h6-8,11,16,22H,3-5,9-10,12-13H2,1-2H3,(H,20,25)(H,23,24)/t16-,19?/m0/s1