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

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]propanoic acid Openeye Name: 2-[2-(benzyloxycarbonylamino)hexanoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]propanoic acid Traditional Name: 2-[2-(benzyloxycarbonylamino)hexanoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5/c1-2-3-12-21(28-25(32)33-16-17-9-5-4-6-10-17)23(29)27-22(24(30)31)14-18-15-26-20-13-8-7-11-19(18)20/h4-11,13,15,21-22,26H,2-3,12,14,16H2,1H3,(H,27,29)(H,28,32)(H,30,31)