methyl (2S)-2-[[(2S)-2-(decanoylamino)propanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-(decanoylamino)propanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(decanoylamino)propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-1-oxo-2-(1-oxodecylamino)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-(decanoylamino)propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(caprylamino)propanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C19H36N2O4 MolecularWeight: 356.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)OC

InChI

InChI=1S/C19H36N2O4/c1-6-7-8-9-10-11-12-13-16(22)20-15(4)18(23)21-17(14(2)3)19(24)25-5/h14-15,17H,6-13H2,1-5H3,(H,20,22)(H,21,23)/t15-,17-/m0/s1