3-(1H-indol-3-yl)-2-[4-(phenylmethoxycarbonylamino)butanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[4-(phenylmethoxycarbonylamino)butanoylamino]propanoic acid Openeye Name: 2-[4-(benzyloxycarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-4-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[4-(phenylmethoxycarbonylamino)butanoylamino]propanoic acid Traditional Name: 2-[4-(benzyloxycarbonylamino)butanoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C23H25N3O5/c27-21(11-6-12-24-23(30)31-15-16-7-2-1-3-8-16)26-20(22(28)29)13-17-14-25-19-10-5-4-9-18(17)19/h1-5,7-10,14,20,25H,6,11-13,15H2,(H,24,30)(H,26,27)(H,28,29)