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

Systemtic Name: (2S)-4-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]pentanoate Openeye Name: (2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]pentanoate Traditional Name: (2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-4-methyl-valerate Formula: C18H24N3O6- MolecularWeight: 378.39966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6/c1-12(2)8-14(17(24)25)21-16(23)10-19-15(22)9-20-18(26)27-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,22)(H,20,26)(H,21,23)(H,24,25)/p-1/t14-/m0/s1