1,3-benzodioxol-5-yl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: 1,3-benzodioxol-5-yl (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid 1,3-benzodioxol-5-yl ester Formula: C21H23NO6 MolecularWeight: 385.41042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)OCO2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC1=CC2=C(C=C1)OCO2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO6/c1-3-14(2)19(22-21(24)25-12-15-7-5-4-6-8-15)20(23)28-16-9-10-17-18(11-16)27-13-26-17/h4-11,14,19H,3,12-13H2,1-2H3,(H,22,24)/t14-,19-/m0/s1