(phenylmethyl) 4-acetamido-5-(octadecylamino)-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 4-acetamido-5-(octadecylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl 4-acetamido-5-(octadecylamino)-5-oxo-pentanoate CAS Name: 4-acetamido-5-(octadecylamino)-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetamido-5-(octadecylamino)-5-oxopentanoate Traditional Name: 4-acetamido-5-keto-5-(stearylamino)valeric acid benzyl ester Formula: C32H54N2O4 MolecularWeight: 530.78216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C32H54N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-33-32(37)30(34-28(2)35)24-25-31(36)38-27-29-22-19-18-20-23-29/h18-20,22-23,30H,3-17,21,24-27H2,1-2H3,(H,33,37)(H,34,35)