methyl (2S)-6-(hexadecanoylamino)-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-6-(hexadecanoylamino)-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-6-(hexadecanoylamino)hexanoate CAS Name: (2S)-6-(1-oxohexadecylamino)-2-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-(hexadecanoylamino)-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-palmitamido-hexanoic acid methyl ester Formula: C31H52N2O5 MolecularWeight: 532.75498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C31H52N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-24-29(34)32-25-20-19-23-28(30(35)37-2)33-31(36)38-26-27-21-16-15-17-22-27/h15-17,21-22,28H,3-14,18-20,23-26H2,1-2H3,(H,32,34)(H,33,36)/t28-/m0/s1