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

Systemtic Name: 2-[[(2S)-1-[[(2S)-4-methyl-1-oxidanylidene-1-phenylazanyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: 2-[[(1S)-1-methyl-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: 2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-[[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]amino]ethyl]amino]propionic acid Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-11(2)10-15(17(23)20-14-8-6-5-7-9-14)21-16(22)12(3)19-13(4)18(24)25/h5-9,11-13,15,19H,10H2,1-4H3,(H,20,23)(H,21,22)(H,24,25)/t12-,13?,15-/m0/s1