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

Systemtic Name: N-[3-(4-aminophenyl)-1-[[4-methyl-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-azanyl-hexanamide Openeye Name: 2-amino-N-[1-[(4-aminophenyl)methyl]-2-[[3-methyl-1-(phenethylcarbamoyl)butyl]amino]-2-oxo-ethyl]hexanamide CAS Name: 2-amino-N-[3-(4-aminophenyl)-1-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]hexanamide IUPAC Name: 2-amino-N-[3-(4-aminophenyl)-1-[[4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl]amino]-1-oxopropan-2-yl]hexanamide Traditional Name: 2-amino-N-[1-(4-aminobenzyl)-2-keto-2-[[3-methyl-1-(phenethylcarbamoyl)butyl]amino]ethyl]hexanamide Formula: C29H43N5O3 MolecularWeight: 509.68342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC1=CC=C(C=C1)N)C(=O)NC(CC(C)C)C(=O)NCCC2=CC=CC=C2)N

Isomeric SMILES

CCCCC(C(=O)NC(CC1=CC=C(C=C1)N)C(=O)NC(CC(C)C)C(=O)NCCC2=CC=CC=C2)N

InChI

InChI=1S/C29H43N5O3/c1-4-5-11-24(31)27(35)33-26(19-22-12-14-23(30)15-13-22)29(37)34-25(18-20(2)3)28(36)32-17-16-21-9-7-6-8-10-21/h6-10,12-15,20,24-26H,4-5,11,16-19,30-31H2,1-3H3,(H,32,36)(H,33,35)(H,34,37)