(2S)-5-azanyl-5-oxidanylidene-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid

Systemtic Name: (2S)-5-azanyl-5-oxidanylidene-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2R)-2-(benzyloxycarbonylamino)propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-5-oxo-2-[[(2R)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]pentanoic acid IUPAC Name: (2S)-5-amino-5-oxo-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid Traditional Name: (2S)-5-amino-2-[[(2R)-2-(benzyloxycarbonylamino)propanoyl]amino]-5-keto-valeric acid Formula: C16H21N3O6 MolecularWeight: 351.35444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21N3O6/c1-10(14(21)19-12(15(22)23)7-8-13(17)20)18-16(24)25-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H2,17,20)(H,18,24)(H,19,21)(H,22,23)/t10-,12+/m1/s1