3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)-2-(propanoylamino)hexanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)-2-(propanoylamino)hexanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)-2-(propanoylamino)hexanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[(1-oxo-4-phenylbutyl)amino]-2-(1-oxopropylamino)hexanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)-2-(propanoylamino)hexanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)-2-propionamido-hexanoic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CNC2=CC=CC=C21)C(C(=O)O)(NC(=O)CC)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCCC(C1=CNC2=CC=CC=C21)C(C(=O)O)(NC(=O)CC)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O4/c1-3-11-22(21-18-28-23-16-9-8-15-20(21)23)27(26(33)34,29-24(31)4-2)30-25(32)17-10-14-19-12-6-5-7-13-19/h5-9,12-13,15-16,18,22,28H,3-4,10-11,14,17H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)