3-[3-(2-azanylethanoyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid

Systemtic Name: 3-[3-(2-azanylethanoyl)-1-(phenylmethyl)indol-5-yl]oxypropylphosphonic acid Openeye Name: 3-[3-(2-aminoacetyl)-1-benzyl-indol-5-yl]oxypropylphosphonic acid CAS Name: 3-[[3-(2-amino-1-oxoethyl)-1-(phenylmethyl)-5-indolyl]oxy]propylphosphonic acid IUPAC Name: 3-[3-(2-aminoacetyl)-1-benzylindol-5-yl]oxypropylphosphonic acid Traditional Name: 3-(1-benzyl-3-glycyl-indol-5-yl)oxypropylphosphonic acid Formula: C20H23N2O5P MolecularWeight: 402.380781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)OCCCP(=O)(O)O)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)OCCCP(=O)(O)O)C(=O)CN

InChI

InChI=1S/C20H23N2O5P/c21-12-20(23)18-14-22(13-15-5-2-1-3-6-15)19-8-7-16(11-17(18)19)27-9-4-10-28(24,25)26/h1-3,5-8,11,14H,4,9-10,12-13,21H2,(H2,24,25,26)