2-azanyl-6-[[2-(oxan-2-yloxy)-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonyl-amino]hexanoic acid

Systemtic Name: 2-azanyl-6-[[2-(oxan-2-yloxy)-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonyl-amino]hexanoic acid Openeye Name: 2-amino-6-[benzyloxycarbonyl-[4-(benzyloxycarbonylamino)-2-tetrahydropyran-2-yloxy-butyl]amino]hexanoic acid CAS Name: 2-amino-6-[[2-(2-oxanyloxy)-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonylamino]hexanoic acid IUPAC Name: 2-amino-6-[[2-(oxan-2-yloxy)-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonylamino]hexanoic acid Traditional Name: 2-amino-6-[[4-(benzyloxycarbonylamino)-2-tetrahydropyran-2-yloxy-butyl]-carbobenzoxy-amino]hexanoic acid Formula: C31H43N3O8 MolecularWeight: 585.68842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(CCNC(=O)OCC2=CC=CC=C2)CN(CCCCC(C(=O)O)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCOC(C1)OC(CCNC(=O)OCC2=CC=CC=C2)CN(CCCCC(C(=O)O)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H43N3O8/c32-27(29(35)36)15-7-9-19-34(31(38)41-23-25-13-5-2-6-14-25)21-26(42-28-16-8-10-20-39-28)17-18-33-30(37)40-22-24-11-3-1-4-12-24/h1-6,11-14,26-28H,7-10,15-23,32H2,(H,33,37)(H,35,36)