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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4/c1-3-9(2)14(15(19)20)16-13(18)8-11-10-6-4-5-7-12(10)21-17-11/h4-7,9,14H,3,8H2,1-2H3,(H,16,18)(H,19,20)/t9-,14-/m0/s1