(phenylmethyl) (4R)-4-acetamido-5-(6-oxidanylhexylamino)-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4R)-4-acetamido-5-(6-oxidanylhexylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl (4R)-4-acetamido-5-(6-hydroxyhexylamino)-5-oxo-pentanoate CAS Name: (4R)-4-acetamido-5-(6-hydroxyhexylamino)-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4R)-4-acetamido-5-(6-hydroxyhexylamino)-5-oxopentanoate Traditional Name: (4R)-4-acetamido-5-(6-hydroxyhexylamino)-5-keto-valeric acid benzyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@H](CCC(=O)OCC1=CC=CC=C1)C(=O)NCCCCCCO

InChI

InChI=1S/C20H30N2O5/c1-16(24)22-18(20(26)21-13-7-2-3-8-14-23)11-12-19(25)27-15-17-9-5-4-6-10-17/h4-6,9-10,18,23H,2-3,7-8,11-15H2,1H3,(H,21,26)(H,22,24)/t18-/m1/s1