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methyl 2-[2-(decanoylamino)propanoylamino]-3-phenyl-propanoate

methyl 2-[2-(decanoylamino)propanoylamino]-3-phenyl-propanoate

Systemtic Name:methyl 2-[2-(decanoylamino)propanoylamino]-3-phenyl-propanoate
Openeye Name:methyl 2-[2-(decanoylamino)propanoylamino]-3-phenyl-propanoate
CAS Name:2-[[1-oxo-2-(1-oxodecylamino)propyl]amino]-3-phenylpropanoic acid methyl ester
IUPAC Name:methyl 2-[2-(decanoylamino)propanoylamino]-3-phenylpropanoate
Traditional Name:2-[2-(caprylamino)propanoylamino]-3-phenyl-propionic acid methyl ester
Formula: C23H36N2O4
MolecularWeight: 404.54294
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H36N2O4/c1-4-5-6-7-8-9-13-16-21(26)24-18(2)22(27)25-20(23(28)29-3)17-19-14-11-10-12-15-19/h10-12,14-15,18,20H,4-9,13,16-17H2,1-3H3,(H,24,26)(H,25,27)


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