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

Systemtic Name: [1-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid Openeye Name: [1-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl]-3-oxo-propyl]phosphonic acid CAS Name: [1-[3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]-3-oxopropyl]phosphonic acid IUPAC Name: [1-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl]-3-oxopropyl]phosphonic acid Traditional Name: [1-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl]-3-keto-propyl]phosphonic acid Formula: C21H23N2O5P MolecularWeight: 414.391481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(CC=O)P(=O)(O)O)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(CC=O)P(=O)(O)O)CC(=O)N

InChI

InChI=1S/C21H23N2O5P/c1-14-17(12-21(22)25)18-11-16(20(9-10-24)29(26,27)28)7-8-19(18)23(14)13-15-5-3-2-4-6-15/h2-8,10-11,20H,9,12-13H2,1H3,(H2,22,25)(H2,26,27,28)