propan-2-yl 2-[[2-(decanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 2-[[2-(decanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: isopropyl 2-[[2-(decanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-methyl-1-oxo-2-(1-oxodecylamino)butyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(decanoylamino)-3-methylbutanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(caprylamino)-3-methyl-butanoyl]amino]-3-phenyl-propionic acid isopropyl ester Formula: C27H44N2O4 MolecularWeight: 460.64926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCCCC(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)C

InChI

InChI=1S/C27H44N2O4/c1-6-7-8-9-10-11-15-18-24(30)29-25(20(2)3)26(31)28-23(27(32)33-21(4)5)19-22-16-13-12-14-17-22/h12-14,16-17,20-21,23,25H,6-11,15,18-19H2,1-5H3,(H,28,31)(H,29,30)