ethyl (2S)-2-[[4-[(hexadecanoylamino)methyl]phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate

Systemtic Name: ethyl (2S)-2-[[4-[(hexadecanoylamino)methyl]phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate Openeye Name: ethyl (2S)-2-[[4-[(hexadecanoylamino)methyl]phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[methyl-[4-[(1-oxohexadecylamino)methyl]phenyl]sulfonylamino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-[(hexadecanoylamino)methyl]phenyl]sulfonyl-methylamino]-4-methylpentanoate Traditional Name: (2S)-4-methyl-2-[methyl-[4-(palmitamidomethyl)phenyl]sulfonyl-amino]valeric acid ethyl ester Formula: C32H56N2O5S MolecularWeight: 580.86244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N(C)C(CC(C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N(C)[C@@H](CC(C)C)C(=O)OCC

InChI

InChI=1S/C32H56N2O5S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-31(35)33-26-28-21-23-29(24-22-28)40(37,38)34(5)30(25-27(3)4)32(36)39-7-2/h21-24,27,30H,6-20,25-26H2,1-5H3,(H,33,35)/t30-/m0/s1