2-[[(3S)-2-oxidanylidene-1-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)azepan-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[(3S)-2-oxidanylidene-1-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)azepan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[(3S)-1-(2-benzyloxy-1-methyl-2-oxo-ethyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[(3S)-2-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)-3-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[(3S)-2-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)azepan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[(3S)-1-(2-benzoxy-2-keto-1-methyl-ethyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N2CCCCC(C2=O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N2CCCC[C@@H](C2=O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H32N2O5/c1-19(26(32)33-18-21-12-6-3-7-13-21)28-17-9-8-14-22(24(28)29)27-23(25(30)31)16-15-20-10-4-2-5-11-20/h2-7,10-13,19,22-23,27H,8-9,14-18H2,1H3,(H,30,31)/t19?,22-,23?/m0/s1