(3S)-3-acetamido-4-oxidanylidene-4-[[2-oxidanylidene-2-(phenethylamino)ethyl]amino]butanoic acid

Systemtic Name: (3S)-3-acetamido-4-oxidanylidene-4-[[2-oxidanylidene-2-(phenethylamino)ethyl]amino]butanoic acid Openeye Name: (3S)-3-acetamido-4-oxo-4-[[2-oxo-2-(phenethylamino)ethyl]amino]butanoic acid CAS Name: (3S)-3-acetamido-4-oxo-4-[[2-oxo-2-(phenethylamino)ethyl]amino]butanoic acid IUPAC Name: (3S)-3-acetamido-4-oxo-4-[[2-oxo-2-(phenethylamino)ethyl]amino]butanoic acid Traditional Name: (3S)-3-acetamido-4-keto-4-[[2-keto-2-(phenethylamino)ethyl]amino]butyric acid Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)C(=O)NCC(=O)NCCC1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C16H21N3O5/c1-11(20)19-13(9-15(22)23)16(24)18-10-14(21)17-8-7-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,17,21)(H,18,24)(H,19,20)(H,22,23)/t13-/m0/s1