2-azanyl-3-(1H-indol-3-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-2-(propanoylamino)hexanoic acid

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-2-(propanoylamino)hexanoic acid Openeye Name: 2-amino-3-(4-benzoylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-(propanoylamino)hexanoic acid CAS Name: 2-amino-3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-3-(1H-indol-3-yl)-2-(1-oxopropylamino)hexanoic acid IUPAC Name: 2-amino-3-(4-benzoylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-(propanoylamino)hexanoic acid Traditional Name: 2-amino-3-(4-benzoylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-propionamido-hexanoic acid Formula: C29H35N5O5 MolecularWeight: 533.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CNC2=CC=CC=C21)(C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C(C(=O)O)(N)NC(=O)CC

Isomeric SMILES

CCCC(C1=CNC2=CC=CC=C21)(C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C(C(=O)O)(N)NC(=O)CC

InChI

InChI=1S/C29H35N5O5/c1-3-14-28(29(30,27(38)39)32-24(35)4-2,22-19-31-23-13-9-8-12-21(22)23)26(37)34-17-15-33(16-18-34)25(36)20-10-6-5-7-11-20/h5-13,19,31H,3-4,14-18,30H2,1-2H3,(H,32,35)(H,38,39)