(2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-4-methyl-pentanoic acid CAS Name: (2R)-2-[[[3-(3-ethyl-1-methyl-3-azepanyl)phenoxy]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2R)-2-[[3-(3-ethyl-1-methylazepan-3-yl)phenoxy]carbonylamino]-4-methylpentanoic acid Traditional Name: (2R)-2-[[3-(3-ethyl-1-methyl-azepan-3-yl)phenoxy]carbonylamino]-4-methyl-valeric acid Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4/c1-5-22(11-6-7-12-24(4)15-22)17-9-8-10-18(14-17)28-21(27)23-19(20(25)26)13-16(2)3/h8-10,14,16,19H,5-7,11-13,15H2,1-4H3,(H,23,27)(H,25,26)/t19-,22?/m1/s1