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

Systemtic Name: (2S)-2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(2-indoxazen-3-ylacetyl)amino]-4-methyl-valeric acid Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CC1=NOC2=CC=CC=C21

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CC1=NOC2=CC=CC=C21

InChI

InChI=1S/C15H18N2O4/c1-9(2)7-12(15(19)20)16-14(18)8-11-10-5-3-4-6-13(10)21-17-11/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)(H,19,20)/t12-/m0/s1