diethyl-[3-[[(3S)-3-methyl-5-oxidanylidene-5-[(4-phenylmethoxyphenyl)amino]pentanoyl]amino]propyl]azanium

Systemtic Name: diethyl-[3-[[(3S)-3-methyl-5-oxidanylidene-5-[(4-phenylmethoxyphenyl)amino]pentanoyl]amino]propyl]azanium Openeye Name: 3-[[(3S)-5-(4-benzyloxyanilino)-3-methyl-5-oxo-pentanoyl]amino]propyl-diethyl-ammonium CAS Name: diethyl-[3-[[(3S)-3-methyl-1,5-dioxo-5-(4-phenylmethoxyanilino)pentyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[(3S)-3-methyl-5-oxo-5-(4-phenylmethoxyanilino)pentanoyl]amino]propyl]azanium Traditional Name: 3-[[(3S)-5-(4-benzoxyanilino)-5-keto-3-methyl-pentanoyl]amino]propyl-diethyl-ammonium Formula: C26H38N3O3+ MolecularWeight: 440.59822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)CC(C)CC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C[C@H](C)CC(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C26H37N3O3/c1-4-29(5-2)17-9-16-27-25(30)18-21(3)19-26(31)28-23-12-14-24(15-13-23)32-20-22-10-7-6-8-11-22/h6-8,10-15,21H,4-5,9,16-20H2,1-3H3,(H,27,30)(H,28,31)/p+1/t21-/m0/s1