methyl 3-(1H-indol-3-yl)-2-[[3-phenyl-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]propanoate bromide

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[[3-phenyl-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]amino]propanoate bromide Openeye Name: methyl 3-(1H-indol-3-yl)-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoate bromide CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]-3-phenylpropyl]amino]propanoic acid methyl ester bromide IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoate bromide Traditional Name: 3-(1H-indol-3-yl)-2-[[3-phenyl-2-(prolylamino)propanoyl]amino]propionic acid methyl ester bromide Formula: C26H30BrN4O4- MolecularWeight: 542.4448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4.[Br-]

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4.[Br-]

InChI

InChI=1S/C26H30N4O4.BrH/c1-34-26(33)23(15-18-16-28-20-11-6-5-10-19(18)20)30-25(32)22(14-17-8-3-2-4-9-17)29-24(31)21-12-7-13-27-21;/h2-6,8-11,16,21-23,27-28H,7,12-15H2,1H3,(H,29,31)(H,30,32);1H/p-1