2-[cycloheptyl-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoic acid

Systemtic Name: 2-[cycloheptyl-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-cycloheptyl-amino]acetic acid CAS Name: 2-[cycloheptyl-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]acetic acid IUPAC Name: 2-[cycloheptyl-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-cycloheptyl-amino]acetic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(CC(=O)O)C1CCCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)N(CC(=O)O)C1CCCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5/c1-16(2)20(23-22(28)29-15-17-10-6-5-7-11-17)21(27)24(14-19(25)26)18-12-8-3-4-9-13-18/h5-7,10-11,16,18,20H,3-4,8-9,12-15H2,1-2H3,(H,23,28)(H,25,26)