2-[[1-[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[1-[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[1-[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-oxoazepan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(CCC2=CC=CC=C2)C(=O)O)C(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(CCC2=CC=CC=C2)C(=O)O)C(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C27H31N3O5/c31-25-22(29-23(26(32)33)14-13-18-8-2-1-3-9-18)12-6-7-15-30(25)24(27(34)35)16-19-17-28-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,28-29H,6-7,12-16H2,(H,32,33)(H,34,35)