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

Systemtic Name: 2-[[(3S)-2-oxidanylidene-1-(1-oxidanyl-1-oxidanylidene-propan-2-yl)azepan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[(3S)-1-(2-hydroxy-1-methyl-2-oxo-ethyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[(3S)-1-(1-hydroxy-1-oxopropan-2-yl)-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[(3S)-1-(1-hydroxy-1-oxopropan-2-yl)-2-oxoazepan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[(3S)-1-(2-hydroxy-2-keto-1-methyl-ethyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCCCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)O)N1CCCC[C@@H](C1=O)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H26N2O5/c1-13(18(23)24)21-12-6-5-9-15(17(21)22)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,23,24)(H,25,26)/t13?,15-,16?/m0/s1