(2S)-4-methyl-2-[[(3S)-2-oxidanylidene-3-(2-phenylethanoylamino)butanoyl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[(3S)-2-oxidanylidene-3-(2-phenylethanoylamino)butanoyl]amino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[(3S)-2-oxo-3-[(2-phenylacetyl)amino]butanoyl]amino]pentanoic acid CAS Name: (2S)-2-[[(3S)-1,2-dioxo-3-[(1-oxo-2-phenylethyl)amino]butyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-4-methyl-2-[[(3S)-2-oxo-3-[(2-phenylacetyl)amino]butanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[(3S)-2-keto-3-[(2-phenylacetyl)amino]butanoyl]amino]-4-methyl-valeric acid Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-11(2)9-14(18(24)25)20-17(23)16(22)12(3)19-15(21)10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,19,21)(H,20,23)(H,24,25)/t12-,14-/m0/s1