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

Systemtic Name: 1-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoylamino]ethylphosphonic acid Openeye Name: 1-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]pentanoylamino]ethylphosphonic acid CAS Name: 1-[[2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1-oxopentyl]amino]ethylphosphonic acid IUPAC Name: 1-[2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoylamino]ethylphosphonic acid Traditional Name: 1-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]pentanoylamino]ethylphosphonic acid Formula: C20H32N3O7P MolecularWeight: 457.457741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N3O7P/c1-5-9-16(18(24)21-14(4)31(27,28)29)22-19(25)17(13(2)3)23-20(26)30-12-15-10-7-6-8-11-15/h6-8,10-11,13-14,16-17H,5,9,12H2,1-4H3,(H,21,24)(H,22,25)(H,23,26)(H2,27,28,29)