propyl 2-[[3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: propyl 2-[[3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]-3-phenyl-propanoate Openeye Name: propyl 2-[[3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-methyl-2-[(2-methyl-1-oxopropyl)amino]-1-oxobutyl]amino]-3-phenylpropanoic acid propyl ester IUPAC Name: propyl 2-[[3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(isobutyrylamino)-3-methyl-butanoyl]amino]-3-phenyl-propionic acid propyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C(C)C

Isomeric SMILES

CCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C(C)C

InChI

InChI=1S/C21H32N2O4/c1-6-12-27-21(26)17(13-16-10-8-7-9-11-16)22-20(25)18(14(2)3)23-19(24)15(4)5/h7-11,14-15,17-18H,6,12-13H2,1-5H3,(H,22,25)(H,23,24)