2-azanyl-N-[3-(1H-indol-3-yl)-1-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]hexanamide

Systemtic Name: 2-azanyl-N-[3-(1H-indol-3-yl)-1-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]hexanamide Openeye Name: 2-amino-N-[1-(1H-indol-3-ylmethyl)-2-[[3-methyl-1-(phenethylcarbamoyl)butyl]amino]-2-oxo-ethyl]hexanamide CAS Name: 2-amino-N-[3-(1H-indol-3-yl)-1-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]hexanamide IUPAC Name: 2-amino-N-[3-(1H-indol-3-yl)-1-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]hexanamide Traditional Name: 2-amino-N-[1-(1H-indol-3-ylmethyl)-2-keto-2-[[3-methyl-1-(phenethylcarbamoyl)butyl]amino]ethyl]hexanamide Formula: C31H43N5O3 MolecularWeight: 533.70482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NCCC3=CC=CC=C3)N

Isomeric SMILES

CCCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NCCC3=CC=CC=C3)N

InChI

InChI=1S/C31H43N5O3/c1-4-5-14-25(32)29(37)35-28(19-23-20-34-26-15-10-9-13-24(23)26)31(39)36-27(18-21(2)3)30(38)33-17-16-22-11-7-6-8-12-22/h6-13,15,20-21,25,27-28,34H,4-5,14,16-19,32H2,1-3H3,(H,33,38)(H,35,37)(H,36,39)