(2S)-4-methyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]pentanoate Openeye Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-4-methyl-valerate Formula: C16H21N2O5- MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O5/c1-11(2)8-13(15(20)21)18-14(19)9-17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)/p-1/t13-/m0/s1