2-[[(7R)-1-(carboxymethyl)-7-methyl-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[(7R)-1-(carboxymethyl)-7-methyl-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[(7R)-1-(carboxymethyl)-7-methyl-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[(7R)-1-(carboxymethyl)-7-methyl-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[(7R)-1-(carboxymethyl)-7-methyl-2-oxoazepan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[(7R)-1-(carboxymethyl)-2-keto-7-methyl-azepan-3-yl]amino]-4-phenyl-butyric acid Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[C@@H]1CCCC(C(=O)N1CC(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H26N2O5/c1-13-6-5-9-15(18(24)21(13)12-17(22)23)20-16(19(25)26)11-10-14-7-3-2-4-8-14/h2-4,7-8,13,15-16,20H,5-6,9-12H2,1H3,(H,22,23)(H,25,26)/t13-,15?,16?/m1/s1