(2S)-2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-indoxazen-3-ylacetyl)amino]-4-(methylthio)butyrate Formula: C14H15N2O4S- MolecularWeight: 307.3449

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CC1=NOC2=CC=CC=C21

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c1-21-7-6-10(14(18)19)15-13(17)8-11-9-4-2-3-5-12(9)20-16-11/h2-5,10H,6-8H2,1H3,(H,15,17)(H,18,19)/p-1/t10-/m0/s1