sodium 6-[[(2S)-2-(1-benzofuran-2-ylcarbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoate

Systemtic Name: sodium 6-[[(2S)-2-(1-benzofuran-2-ylcarbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoate Openeye Name: sodium 6-[[(2S)-2-(benzofuran-2-carbonylamino)-5-(benzyloxycarbonylamino)pentanoyl]amino]hexanoate CAS Name: sodium 6-[[(2S)-2-[[2-benzofuranyl(oxo)methyl]amino]-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]hexanoate IUPAC Name: sodium 6-[[(2S)-2-(1-benzofuran-2-carbonylamino)-5-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoate Traditional Name: sodium 6-[[(2S)-2-(benzofuran-2-carbonylamino)-5-(benzyloxycarbonylamino)pentanoyl]amino]hexanoate Formula: C28H32N3NaO7 MolecularWeight: 545.55935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)NCCCCCC(=O)[O-])NC(=O)C2=CC3=CC=CC=C3O2.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC[C@@H](C(=O)NCCCCCC(=O)[O-])NC(=O)C2=CC3=CC=CC=C3O2.[Na+]

InChI

InChI=1S/C28H33N3O7.Na/c32-25(33)15-5-2-8-16-29-26(34)22(31-27(35)24-18-21-12-6-7-14-23(21)38-24)13-9-17-30-28(36)37-19-20-10-3-1-4-11-20;/h1,3-4,6-7,10-12,14,18,22H,2,5,8-9,13,15-17,19H2,(H,29,34)(H,30,36)(H,31,35)(H,32,33);/q;+1/p-1/t22-;/m0./s1