(2S)-4-methylsulfanyl-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoate Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[(2S)-4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-4-(methylthio)butyrate Formula: C18H25N2O5S2- MolecularWeight: 413.5315

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCSC)C(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSCC[C@@H](C(=O)N[C@@H](CCSC)C(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H26N2O5S2/c1-26-10-8-14(16(21)19-15(17(22)23)9-11-27-2)20-18(24)25-12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,19,21)(H,20,24)(H,22,23)/p-1/t14-,15-/m0/s1