(2S,3R)-3-[2-(2-acetamidoethanoylamino)ethanoylamino]-2-oxidanyl-4-phenyl-butanoic acid

Systemtic Name: (2S,3R)-3-[2-(2-acetamidoethanoylamino)ethanoylamino]-2-oxidanyl-4-phenyl-butanoic acid Openeye Name: (2S,3R)-3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-2-hydroxy-4-phenyl-butanoic acid CAS Name: (2S,3R)-3-[[2-[(2-acetamido-1-oxoethyl)amino]-1-oxoethyl]amino]-2-hydroxy-4-phenylbutanoic acid IUPAC Name: (2S,3R)-3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-2-hydroxy-4-phenylbutanoic acid Traditional Name: (2S,3R)-3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-2-hydroxy-4-phenyl-butyric acid Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(C(=O)O)O

Isomeric SMILES

CC(=O)NCC(=O)NCC(=O)N[C@H](CC1=CC=CC=C1)[C@@H](C(=O)O)O

InChI

InChI=1S/C16H21N3O6/c1-10(20)17-8-13(21)18-9-14(22)19-12(15(23)16(24)25)7-11-5-3-2-4-6-11/h2-6,12,15,23H,7-9H2,1H3,(H,17,20)(H,18,21)(H,19,22)(H,24,25)/t12-,15+/m1/s1