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

Systemtic Name: 2-[[1-(carboxymethyl)-2-oxidanylidene-azepan-3-yl]amino]-4-(1H-indol-3-yl)butanoic acid Openeye Name: 2-[[1-(carboxymethyl)-2-oxo-azepan-3-yl]amino]-4-(1H-indol-3-yl)butanoic acid CAS Name: 2-[[1-(carboxymethyl)-2-oxo-3-azepanyl]amino]-4-(1H-indol-3-yl)butanoic acid IUPAC Name: 2-[[1-(carboxymethyl)-2-oxoazepan-3-yl]amino]-4-(1H-indol-3-yl)butanoic acid Traditional Name: 2-[[1-(carboxymethyl)-2-keto-azepan-3-yl]amino]-4-(1H-indol-3-yl)butyric acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(CCC2=CNC3=CC=CC=C32)C(=O)O)CC(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(CCC2=CNC3=CC=CC=C32)C(=O)O)CC(=O)O

InChI

InChI=1S/C20H25N3O5/c24-18(25)12-23-10-4-3-7-16(19(23)26)22-17(20(27)28)9-8-13-11-21-15-6-2-1-5-14(13)15/h1-2,5-6,11,16-17,21-22H,3-4,7-10,12H2,(H,24,25)(H,27,28)