octadecyl (2S)-2-[[(2R)-2-azanylpropanoyl]amino]-4-cyano-butanoate

Systemtic Name: octadecyl (2S)-2-[[(2R)-2-azanylpropanoyl]amino]-4-cyano-butanoate Openeye Name: octadecyl (2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-cyano-butanoate CAS Name: (2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-4-cyanobutanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-cyanobutanoate Traditional Name: (2S)-2-[[(2R)-2-aminopropanoyl]amino]-4-cyano-butyric acid stearyl ester Formula: C26H49N3O3 MolecularWeight: 451.68556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC#N)NC(=O)C(C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)[C@H](CCC#N)NC(=O)[C@@H](C)N

InChI

InChI=1S/C26H49N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-26(31)24(20-19-21-27)29-25(30)23(2)28/h23-24H,3-20,22,28H2,1-2H3,(H,29,30)/t23-,24+/m1/s1