octadecyl (2S)-2-(butoxycarbonylamino)-3-methyl-pentanoate

Systemtic Name: octadecyl (2S)-2-(butoxycarbonylamino)-3-methyl-pentanoate Openeye Name: octadecyl (2S)-2-(butoxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S)-2-[[butoxy(oxo)methyl]amino]-3-methylpentanoic acid octadecyl ester IUPAC Name: octadecyl (2S)-2-(butoxycarbonylamino)-3-methylpentanoate Traditional Name: (2S)-2-(butoxycarbonylamino)-3-methyl-valeric acid stearyl ester Formula: C29H57NO4 MolecularWeight: 483.76718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C)CC)NC(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)[C@H](C(C)CC)NC(=O)OCCCC

InChI

InChI=1S/C29H57NO4/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-33-28(31)27(26(4)7-3)30-29(32)34-24-9-6-2/h26-27H,5-25H2,1-4H3,(H,30,32)/t26?,27-/m0/s1