prop-2-enyl (2S,3R)-2-[[(2S)-2-(hexanoylamino)-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoate

Systemtic Name: prop-2-enyl (2S,3R)-2-[[(2S)-2-(hexanoylamino)-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoate Openeye Name: allyl (2S,3R)-2-[[(2S)-2-(hexanoylamino)-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoate CAS Name: (2S,3R)-3-hydroxy-2-[[(2S)-4-(methylthio)-1-oxo-2-(1-oxohexylamino)butyl]amino]butanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,3R)-2-[[(2S)-2-(hexanoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoate Traditional Name: (2S,3R)-2-[[(2S)-2-(caproylamino)-4-(methylthio)butanoyl]amino]-3-hydroxy-butyric acid allyl ester Formula: C18H32N2O5S MolecularWeight: 388.52208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)OCC=C

Isomeric SMILES

CCCCCC(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)OCC=C

InChI

InChI=1S/C18H32N2O5S/c1-5-7-8-9-15(22)19-14(10-12-26-4)17(23)20-16(13(3)21)18(24)25-11-6-2/h6,13-14,16,21H,2,5,7-12H2,1,3-4H3,(H,19,22)(H,20,23)/t13-,14+,16+/m1/s1