5-[2-[[1-methoxy-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]propanoyl]-1,5-oxazocane-4-carboxylic acid

Systemtic Name: 5-[2-[[1-methoxy-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]propanoyl]-1,5-oxazocane-4-carboxylic acid Openeye Name: 5-[2-[[5-(benzyloxycarbonylamino)-1-methoxycarbonyl-pentyl]amino]propanoyl]-1,5-oxazocane-4-carboxylic acid CAS Name: 5-[2-[[1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-1-oxopropyl]-1,5-oxazocane-4-carboxylic acid IUPAC Name: 5-[2-[[1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]propanoyl]-1,5-oxazocane-4-carboxylic acid Traditional Name: 5-[2-[[5-(benzyloxycarbonylamino)-1-carbomethoxy-pentyl]amino]propanoyl]-1,5-oxazocane-4-carboxylic acid Formula: C25H37N3O8 MolecularWeight: 507.57658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCOCCC1C(=O)O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C(=O)N1CCCOCCC1C(=O)O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C25H37N3O8/c1-18(22(29)28-14-8-15-35-16-12-21(28)23(30)31)27-20(24(32)34-2)11-6-7-13-26-25(33)36-17-19-9-4-3-5-10-19/h3-5,9-10,18,20-21,27H,6-8,11-17H2,1-2H3,(H,26,33)(H,30,31)