(2S)-4-methylsulfanyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]butanoic acid Openeye Name: (2S)-2-[[(2S)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[oxo-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]methyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]butanoic acid Traditional Name: (2S)-2-[[(2S)-1-carbobenzoxyprolyl]amino]-4-(methylthio)butyric acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O5S/c1-26-11-9-14(17(22)23)19-16(21)15-8-5-10-20(15)18(24)25-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,19,21)(H,22,23)/t14-,15-/m0/s1