(phenylmethyl) (2R)-2-(3-cyanopropanoylamino)-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) (2R)-2-(3-cyanopropanoylamino)-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl (2R)-6-(benzyloxycarbonylamino)-2-(3-cyanopropanoylamino)hexanoate CAS Name: (2R)-2-[(3-cyano-1-oxopropyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-(3-cyanopropanoylamino)-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2R)-6-(benzyloxycarbonylamino)-2-(3-cyanopropanoylamino)hexanoic acid benzyl ester Formula: C25H29N3O5 MolecularWeight: 451.51486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)CCC#N

InChI

InChI=1S/C25H29N3O5/c26-16-9-15-23(29)28-22(24(30)32-18-20-10-3-1-4-11-20)14-7-8-17-27-25(31)33-19-21-12-5-2-6-13-21/h1-6,10-13,22H,7-9,14-15,17-19H2,(H,27,31)(H,28,29)/t22-/m1/s1