2-[[2-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid

Systemtic Name: 2-[[2-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 2-[[2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]propanoic acid IUPAC Name: 2-[[2-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]propanoic acid Traditional Name: 2-[[2-keto-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]ethyl]amino]propionic acid Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)CNC(C)C(=O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)CNC(C)C(=O)O

InChI

InChI=1S/C17H25N3O4/c1-11(2)9-14(16(22)19-13-7-5-4-6-8-13)20-15(21)10-18-12(3)17(23)24/h4-8,11-12,14,18H,9-10H2,1-3H3,(H,19,22)(H,20,21)(H,23,24)/t12?,14-/m0/s1