2-[4-[[(3R,4R)-4-oxidanyl-1-(propan-2-ylcarbamoyl)azepan-3-yl]carbamoyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[[(3R,4R)-4-oxidanyl-1-(propan-2-ylcarbamoyl)azepan-3-yl]carbamoyl]phenoxy]ethanoate Openeye Name: 2-[4-[[(3R,4R)-4-hydroxy-1-(isopropylcarbamoyl)azepan-3-yl]carbamoyl]phenoxy]acetate CAS Name: 2-[4-[[[(3R,4R)-4-hydroxy-1-[oxo-(propan-2-ylamino)methyl]-3-azepanyl]amino]-oxomethyl]phenoxy]acetate IUPAC Name: 2-[4-[[(3R,4R)-4-hydroxy-1-(propan-2-ylcarbamoyl)azepan-3-yl]carbamoyl]phenoxy]acetate Traditional Name: 2-[4-[[(3R,4R)-4-hydroxy-1-(isopropylcarbamoyl)azepan-3-yl]carbamoyl]phenoxy]acetate Formula: C19H26N3O6- MolecularWeight: 392.42624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCC(=O)[O-])O

Isomeric SMILES

CC(C)NC(=O)N1CCC[C@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)OCC(=O)[O-])O

InChI

InChI=1S/C19H27N3O6/c1-12(2)20-19(27)22-9-3-4-16(23)15(10-22)21-18(26)13-5-7-14(8-6-13)28-11-17(24)25/h5-8,12,15-16,23H,3-4,9-11H2,1-2H3,(H,20,27)(H,21,26)(H,24,25)/p-1/t15-,16-/m1/s1