1-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]ethylphosphonic acid

Systemtic Name: 1-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]ethylphosphonic acid Openeye Name: 1-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]ethylphosphonic acid CAS Name: 1-[[2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopropyl]amino]ethylphosphonic acid IUPAC Name: 1-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]ethylphosphonic acid Traditional Name: 1-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]ethylphosphonic acid Formula: C18H28N3O7P MolecularWeight: 429.404581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(C)P(=O)(O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(C)P(=O)(O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H28N3O7P/c1-11(2)15(21-18(24)28-10-14-8-6-5-7-9-14)17(23)19-12(3)16(22)20-13(4)29(25,26)27/h5-9,11-13,15H,10H2,1-4H3,(H,19,23)(H,20,22)(H,21,24)(H2,25,26,27)