2-[[3-(1H-indol-3-yl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-(1H-indol-3-yl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(1,1-dimethylpropoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(1H-indol-3-yl)-2-[[2-methylbutan-2-yloxy(oxo)methyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-(1H-indol-3-yl)-2-(2-methylbutan-2-yloxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(tert-amyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propionic acid Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H31N3O5/c1-4-26(2,3)34-25(33)29-21(15-18-16-27-20-13-9-8-12-19(18)20)23(30)28-22(24(31)32)14-17-10-6-5-7-11-17/h5-13,16,21-22,27H,4,14-15H2,1-3H3,(H,28,30)(H,29,33)(H,31,32)