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

Systemtic Name: [1-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-cyclopropyl-1-(phenylmethyl)indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid Openeye Name: [1-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-cyclopropyl-indol-5-yl]-3-oxo-propyl]phosphonic acid CAS Name: [1-[3-(2-amino-2-oxoethyl)-2-cyclopropyl-1-(phenylmethyl)-5-indolyl]-3-oxopropyl]phosphonic acid IUPAC Name: [1-[3-(2-amino-2-oxoethyl)-1-benzyl-2-cyclopropylindol-5-yl]-3-oxopropyl]phosphonic acid Traditional Name: [1-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-cyclopropyl-indol-5-yl]-3-keto-propyl]phosphonic acid Formula: C23H25N2O5P MolecularWeight: 440.428761

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(CC=O)P(=O)(O)O)CC(=O)N

Isomeric SMILES

C1CC1C2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(CC=O)P(=O)(O)O)CC(=O)N

InChI

InChI=1S/C23H25N2O5P/c24-22(27)13-19-18-12-17(21(10-11-26)31(28,29)30)8-9-20(18)25(23(19)16-6-7-16)14-15-4-2-1-3-5-15/h1-5,8-9,11-12,16,21H,6-7,10,13-14H2,(H2,24,27)(H2,28,29,30)