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

Systemtic Name: propan-2-yl 2-[[3-methyl-2-[(4-pentylphenyl)carbonylamino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: isopropyl 2-[[3-methyl-2-[(4-pentylbenzoyl)amino]butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-methyl-1-oxo-2-[[oxo-(4-pentylphenyl)methyl]amino]butyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[3-methyl-2-[(4-pentylbenzoyl)amino]butanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(4-amylbenzoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)OC(C)C

Isomeric SMILES

CCCCCC1=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/C29H40N2O4/c1-6-7-9-12-22-15-17-24(18-16-22)27(32)31-26(20(2)3)28(33)30-25(29(34)35-21(4)5)19-23-13-10-8-11-14-23/h8,10-11,13-18,20-21,25-26H,6-7,9,12,19H2,1-5H3,(H,30,33)(H,31,32)