propyl 2-[[2-[(4-hexylphenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: propyl 2-[[2-[(4-hexylphenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: propyl 2-[[2-[(4-hexylbenzoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[(4-hexylphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid propyl ester IUPAC Name: propyl 2-[[2-[(4-hexylbenzoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(4-hexylbenzoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid propyl ester Formula: C30H42N2O4 MolecularWeight: 494.66548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)OCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)OCCC

InChI

InChI=1S/C30H42N2O4/c1-5-7-8-10-13-23-16-18-25(19-17-23)28(33)32-27(22(3)4)29(34)31-26(30(35)36-20-6-2)21-24-14-11-9-12-15-24/h9,11-12,14-19,22,26-27H,5-8,10,13,20-21H2,1-4H3,(H,31,34)(H,32,33)