(2S)-2-[3-[6-(4-phenylbutanoylamino)hexanoylamino]propanoylamino]-3-phosphonooxy-propanoic acid

Systemtic Name: (2S)-2-[3-[6-(4-phenylbutanoylamino)hexanoylamino]propanoylamino]-3-phosphonooxy-propanoic acid Openeye Name: (2S)-2-[3-[6-(4-phenylbutanoylamino)hexanoylamino]propanoylamino]-3-phosphonooxy-propanoic acid CAS Name: (2S)-2-[[1-oxo-3-[[1-oxo-6-[(1-oxo-4-phenylbutyl)amino]hexyl]amino]propyl]amino]-3-phosphonooxypropanoic acid IUPAC Name: (2S)-2-[3-[6-(4-phenylbutanoylamino)hexanoylamino]propanoylamino]-3-phosphonooxypropanoic acid Traditional Name: (2S)-2-[3-[6-(4-phenylbutanoylamino)hexanoylamino]propanoylamino]-3-phosphonooxy-propionic acid Formula: C22H34N3O9P MolecularWeight: 515.493821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NCCCCCC(=O)NCCC(=O)NC(COP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NCCCCCC(=O)NCCC(=O)N[C@@H](COP(=O)(O)O)C(=O)O

InChI

InChI=1S/C22H34N3O9P/c26-19(24-15-13-21(28)25-18(22(29)30)16-34-35(31,32)33)11-5-2-6-14-23-20(27)12-7-10-17-8-3-1-4-9-17/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,23,27)(H,24,26)(H,25,28)(H,29,30)(H2,31,32,33)/t18-/m0/s1