2-[2-[naphthalen-1-yl(phenylmethoxycarbonylamino)amino]propanoylamino]hexanoic acid

Systemtic Name: 2-[2-[naphthalen-1-yl(phenylmethoxycarbonylamino)amino]propanoylamino]hexanoic acid Openeye Name: 2-[2-[benzyloxycarbonylamino(1-naphthyl)amino]propanoylamino]hexanoic acid CAS Name: 2-[[2-[1-naphthalenyl(phenylmethoxycarbonylamino)amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[2-[naphthalen-1-yl(phenylmethoxycarbonylamino)amino]propanoylamino]hexanoic acid Traditional Name: 2-[2-[benzyloxycarbonylamino(1-naphthyl)amino]propanoylamino]hexanoic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(C)N(C1=CC=CC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(C)N(C1=CC=CC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O5/c1-3-4-16-23(26(32)33)28-25(31)19(2)30(24-17-10-14-21-13-8-9-15-22(21)24)29-27(34)35-18-20-11-6-5-7-12-20/h5-15,17,19,23H,3-4,16,18H2,1-2H3,(H,28,31)(H,29,34)(H,32,33)