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

Systemtic Name: propan-2-yl 2-[[2-[(4-hexylphenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C30H42N2O4 MolecularWeight: 494.66548

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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)OC(C)C

Isomeric SMILES

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

InChI

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