[1-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-(phenylmethyl)indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid

Systemtic Name: [1-[3-(2-azanyl-2-oxidanylidene-ethyl)-1-(phenylmethyl)indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid Openeye Name: [1-[3-(2-amino-2-oxo-ethyl)-1-benzyl-indol-5-yl]-3-oxo-propyl]phosphonic acid CAS Name: [1-[3-(2-amino-2-oxoethyl)-1-(phenylmethyl)-5-indolyl]-3-oxopropyl]phosphonic acid IUPAC Name: [1-[3-(2-amino-2-oxoethyl)-1-benzylindol-5-yl]-3-oxopropyl]phosphonic acid Traditional Name: [1-[3-(2-amino-2-keto-ethyl)-1-benzyl-indol-5-yl]-3-keto-propyl]phosphonic acid Formula: C20H21N2O5P MolecularWeight: 400.364901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C(CC=O)P(=O)(O)O)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C(CC=O)P(=O)(O)O)CC(=O)N

InChI

InChI=1S/C20H21N2O5P/c21-20(24)11-16-13-22(12-14-4-2-1-3-5-14)18-7-6-15(10-17(16)18)19(8-9-23)28(25,26)27/h1-7,9-10,13,19H,8,11-12H2,(H2,21,24)(H2,25,26,27)