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

Systemtic Name: 3-(1H-indol-3-yl)-2-[4-(phenylmethoxycarbonylamino)butanoylamino]-2-(propanoylamino)hexanoic acid Openeye Name: 2-[4-(benzyloxycarbonylamino)butanoylamino]-3-(1H-indol-3-yl)-2-(propanoylamino)hexanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-4-(phenylmethoxycarbonylamino)butyl]amino]-2-(1-oxopropylamino)hexanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[4-(phenylmethoxycarbonylamino)butanoylamino]-2-(propanoylamino)hexanoic acid Traditional Name: 2-[4-(benzyloxycarbonylamino)butanoylamino]-3-(1H-indol-3-yl)-2-propionamido-hexanoic acid Formula: C29H36N4O6 MolecularWeight: 536.61934

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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)CCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC(C1=CNC2=CC=CC=C21)C(C(=O)O)(NC(=O)CC)NC(=O)CCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H36N4O6/c1-3-11-23(22-18-31-24-15-9-8-14-21(22)24)29(27(36)37,32-25(34)4-2)33-26(35)16-10-17-30-28(38)39-19-20-12-6-5-7-13-20/h5-9,12-15,18,23,31H,3-4,10-11,16-17,19H2,1-2H3,(H,30,38)(H,32,34)(H,33,35)(H,36,37)