8-azanyl-2-[2-(1H-indol-3-yl)-3-(methylamino)-3-oxidanylidene-propyl]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-azanyl-2-[2-(1H-indol-3-yl)-3-(methylamino)-3-oxidanylidene-propyl]-8-oxidanylidene-octanoic acid Openeye Name: 8-amino-2-[2-(1H-indol-3-yl)-3-(methylamino)-3-oxo-propyl]-8-oxo-octanoic acid CAS Name: 8-amino-2-[2-(1H-indol-3-yl)-3-(methylamino)-3-oxopropyl]-8-oxooctanoic acid IUPAC Name: 8-amino-2-[2-(1H-indol-3-yl)-3-(methylamino)-3-oxopropyl]-8-oxooctanoic acid Traditional Name: 8-amino-2-[2-(1H-indol-3-yl)-3-keto-3-(methylamino)propyl]-8-keto-caprylic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC(CCCCCC(=O)N)C(=O)O)C1=CNC2=CC=CC=C21

Isomeric SMILES

CNC(=O)C(CC(CCCCCC(=O)N)C(=O)O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C20H27N3O4/c1-22-19(25)15(16-12-23-17-9-6-5-8-14(16)17)11-13(20(26)27)7-3-2-4-10-18(21)24/h5-6,8-9,12-13,15,23H,2-4,7,10-11H2,1H3,(H2,21,24)(H,22,25)(H,26,27)