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

Systemtic Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-4-(methylthio)butyrate Formula: C19H18N3O4S- MolecularWeight: 384.42892

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-27-10-9-15(18(23)24)22-19(25)20-13-6-4-5-12(11-13)17-21-14-7-2-3-8-16(14)26-17/h2-8,11,15H,9-10H2,1H3,(H,23,24)(H2,20,22,25)/p-1/t15-/m0/s1