2-[[1-(5-bromanyl-1H-indol-3-yl)-16-oxidanylidene-hexadecyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[1-(5-bromanyl-1H-indol-3-yl)-16-oxidanylidene-hexadecyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[1-(5-bromo-1H-indol-3-yl)-16-oxo-hexadecyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[1-(5-bromo-1H-indol-3-yl)-16-oxohexadecyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[1-(5-bromo-1H-indol-3-yl)-16-oxohexadecyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[1-(5-bromo-1H-indol-3-yl)-16-keto-hexadecyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C35H46BrN3O3 MolecularWeight: 636.66204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(CCCCCCCCCCCCCCC=O)C3=CNC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(CCCCCCCCCCCCCCC=O)C3=CNC4=C3C=C(C=C4)Br

InChI

InChI=1S/C35H46BrN3O3/c36-27-19-20-32-29(23-27)30(25-38-32)33(18-12-10-8-6-4-2-1-3-5-7-9-11-15-21-40)39-34(35(41)42)22-26-24-37-31-17-14-13-16-28(26)31/h13-14,16-17,19-21,23-25,33-34,37-39H,1-12,15,18,22H2,(H,41,42)