(2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methyl-valeric acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H21N3O4/c1-12(2)10-16(19(24)25)23-20(26)21-14-7-5-6-13(11-14)18-22-15-8-3-4-9-17(15)27-18/h3-9,11-12,16H,10H2,1-2H3,(H,24,25)(H2,21,23,26)/t16-/m0/s1