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

Systemtic Name: (phenylmethyl) 4-benzamido-5-(octadecylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl 4-benzamido-5-(octadecylamino)-5-oxo-pentanoate CAS Name: 4-benzamido-5-(octadecylamino)-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-benzamido-5-(octadecylamino)-5-oxopentanoate Traditional Name: 4-benzamido-5-keto-5-(stearylamino)valeric acid benzyl ester Formula: C37H56N2O4 MolecularWeight: 592.85154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C37H56N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-30-38-37(42)34(39-36(41)33-26-21-18-22-27-33)28-29-35(40)43-31-32-24-19-17-20-25-32/h17-22,24-27,34H,2-16,23,28-31H2,1H3,(H,38,42)(H,39,41)