3-(1H-indol-3-yl)-2-[2-[methyl(phenylmethoxycarbonyl)amino]ethanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-[methyl(phenylmethoxycarbonyl)amino]ethanoylamino]propanoic acid Openeye Name: 2-[[2-[benzyloxycarbonyl(methyl)amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[2-[methyl(phenylmethoxycarbonyl)amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]propanoic acid Traditional Name: 2-[[2-[carbobenzoxy(methyl)amino]acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5/c1-25(22(29)30-14-15-7-3-2-4-8-15)13-20(26)24-19(21(27)28)11-16-12-23-18-10-6-5-9-17(16)18/h2-10,12,19,23H,11,13-14H2,1H3,(H,24,26)(H,27,28)