1-[2-[2-[methyl(phenylmethoxycarbonyl)amino]pentanoylamino]pentanoylamino]ethylphosphonic acid

Systemtic Name: 1-[2-[2-[methyl(phenylmethoxycarbonyl)amino]pentanoylamino]pentanoylamino]ethylphosphonic acid Openeye Name: 1-[2-[2-[benzyloxycarbonyl(methyl)amino]pentanoylamino]pentanoylamino]ethylphosphonic acid CAS Name: 1-[[2-[[2-[methyl(phenylmethoxycarbonyl)amino]-1-oxopentyl]amino]-1-oxopentyl]amino]ethylphosphonic acid IUPAC Name: 1-[2-[2-[methyl(phenylmethoxycarbonyl)amino]pentanoylamino]pentanoylamino]ethylphosphonic acid Traditional Name: 1-[2-[2-[carbobenzoxy(methyl)amino]pentanoylamino]pentanoylamino]ethylphosphonic acid Formula: C21H34N3O7P MolecularWeight: 471.484321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N3O7P/c1-5-10-17(19(25)22-15(3)32(28,29)30)23-20(26)18(11-6-2)24(4)21(27)31-14-16-12-8-7-9-13-16/h7-9,12-13,15,17-18H,5-6,10-11,14H2,1-4H3,(H,22,25)(H,23,26)(H2,28,29,30)