[1-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)-4-prop-2-enyl-indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid

Systemtic Name: [1-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)-4-prop-2-enyl-indol-5-yl]-3-oxidanylidene-propyl]phosphonic acid Openeye Name: [1-[4-allyl-3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-5-yl]-3-oxo-propyl]phosphonic acid CAS Name: [1-[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-4-prop-2-enyl-5-indolyl]-3-oxopropyl]phosphonic acid IUPAC Name: [1-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-4-prop-2-enylindol-5-yl]-3-oxopropyl]phosphonic acid Traditional Name: [1-[4-allyl-3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-indol-5-yl]-3-keto-propyl]phosphonic acid Formula: C25H29N2O5P MolecularWeight: 468.481921

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2CC=C)C(CC=O)P(=O)(O)O)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2CC=C)C(CC=O)P(=O)(O)O)CC(=O)N

InChI

InChI=1S/C25H29N2O5P/c1-3-8-19-18(23(13-14-28)33(30,31)32)11-12-22-25(19)20(15-24(26)29)21(4-2)27(22)16-17-9-6-5-7-10-17/h3,5-7,9-12,14,23H,1,4,8,13,15-16H2,2H3,(H2,26,29)(H2,30,31,32)