6-[[(2R)-2-(1-benzofuran-2-ylcarbonylamino)-6-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoic acid

Systemtic Name: 6-[[(2R)-2-(1-benzofuran-2-ylcarbonylamino)-6-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoic acid Openeye Name: 6-[[(2R)-2-(benzofuran-2-carbonylamino)-6-(benzyloxycarbonylamino)hexanoyl]amino]hexanoic acid CAS Name: 6-[[(2R)-2-[[2-benzofuranyl(oxo)methyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]hexanoic acid IUPAC Name: 6-[[(2R)-2-(1-benzofuran-2-carbonylamino)-6-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoic acid Traditional Name: 6-[[(2R)-2-(benzofuran-2-carbonylamino)-6-(benzyloxycarbonylamino)hexanoyl]amino]hexanoic acid Formula: C29H35N3O7 MolecularWeight: 537.6041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)NCCCCCC(=O)O)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC[C@H](C(=O)NCCCCCC(=O)O)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C29H35N3O7/c33-26(34)16-5-2-9-17-30-27(35)23(32-28(36)25-19-22-13-6-7-15-24(22)39-25)14-8-10-18-31-29(37)38-20-21-11-3-1-4-12-21/h1,3-4,6-7,11-13,15,19,23H,2,5,8-10,14,16-18,20H2,(H,30,35)(H,31,37)(H,32,36)(H,33,34)/t23-/m1/s1