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

Systemtic Name: [1-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-bromanyl-1-(phenylmethyl)indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid Openeye Name: [1-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-bromo-indol-5-yl]-3-oxo-propyl]phosphonic acid CAS Name: [1-[3-(2-amino-2-oxoethyl)-2-bromo-1-(phenylmethyl)-5-indolyl]-3-oxopropyl]phosphonic acid IUPAC Name: [1-[3-(2-amino-2-oxoethyl)-1-benzyl-2-bromoindol-5-yl]-3-oxopropyl]phosphonic acid Traditional Name: [1-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-bromo-indol-5-yl]-3-keto-propyl]phosphonic acid Formula: C20H20BrN2O5P MolecularWeight: 479.260961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(CC=O)P(=O)(O)O)C(=C2Br)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(CC=O)P(=O)(O)O)C(=C2Br)CC(=O)N

InChI

InChI=1S/C20H20BrN2O5P/c21-20-16(11-19(22)25)15-10-14(18(8-9-24)29(26,27)28)6-7-17(15)23(20)12-13-4-2-1-3-5-13/h1-7,9-10,18H,8,11-12H2,(H2,22,25)(H2,26,27,28)