methyl (2S)-2-[[(2S)-2-acetamido-5-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-acetamido-5-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-acetamido-5-(benzyloxycarbonylamino)pentanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-acetamido-5-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-5-(benzyloxycarbonylamino)pentanoyl]amino]propionic acid methyl ester Formula: C19H27N3O6 MolecularWeight: 393.43418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C(CCCNC(=O)OCC1=CC=CC=C1)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@H](CCCNC(=O)OCC1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C19H27N3O6/c1-13(18(25)27-3)21-17(24)16(22-14(2)23)10-7-11-20-19(26)28-12-15-8-5-4-6-9-15/h4-6,8-9,13,16H,7,10-12H2,1-3H3,(H,20,26)(H,21,24)(H,22,23)/t13-,16-/m0/s1