ethyl 2-[[4-methyl-2-(4-phenylbutanoylamino)pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-methyl-2-(4-phenylbutanoylamino)pentanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-methyl-2-(4-phenylbutanoylamino)pentanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[4-methyl-1-oxo-2-[(1-oxo-4-phenylbutyl)amino]pentyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-2-(4-phenylbutanoylamino)pentanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-methyl-2-(4-phenylbutanoylamino)pentanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C27H36N2O4/c1-4-33-27(32)24(19-22-14-9-6-10-15-22)29-26(31)23(18-20(2)3)28-25(30)17-11-16-21-12-7-5-8-13-21/h5-10,12-15,20,23-24H,4,11,16-19H2,1-3H3,(H,28,30)(H,29,31)