(phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-thiophen-2-yl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-azanyl-3-thiophen-2-yl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: benzyl (2S)-2-[[(2S)-2-amino-3-(2-thienyl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-thiophen-2-ylpropyl]amino]-4-(methylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(2-thienyl)propanoyl]amino]-4-(methylthio)butyric acid benzyl ester Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CS2)N

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CS2)N

InChI

InChI=1S/C19H24N2O3S2/c1-25-11-9-17(19(23)24-13-14-6-3-2-4-7-14)21-18(22)16(20)12-15-8-5-10-26-15/h2-8,10,16-17H,9,11-13,20H2,1H3,(H,21,22)/t16-,17-/m0/s1