(2S)-4-methylsulfanyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]butanoic acid Openeye Name: (2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoic acid Traditional Name: (2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C17H23N3O6S MolecularWeight: 397.44602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O6S/c1-27-8-7-13(16(23)24)20-15(22)10-18-14(21)9-19-17(25)26-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,21)(H,19,25)(H,20,22)(H,23,24)/t13-/m0/s1